data_1xyd_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 1xyd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.22 -19.78 63.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.532 -0.73 . . . . 0.0 109.552 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.16 -27.62 63.68 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -71.54 -48.3 49.5 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.22 25.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.463 0.649 . . . . 0.0 110.077 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.4 mtt -50.89 -39.19 53.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.283 -0.886 . . . . 0.0 109.78 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.02 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 8.9 mp -80.73 -49.08 11.63 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.884 -1.135 . . . . 0.0 110.921 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.74 -28.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.71 -1.244 . . . . 0.0 109.502 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.34 -49.54 12.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 0.0 109.38 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.03 -27.11 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.918 . . . . 0.0 109.195 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.5 t80 -73.15 -47.9 40.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.297 -0.877 . . . . 0.0 109.128 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 5.5 t-80 -73.76 -35.37 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 110.628 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.07 -37.3 87.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.859 -1.151 . . . . 0.0 109.705 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -90.89 -58.9 2.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.051 -1.031 . . . . 0.0 109.195 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 38.3 p -54.64 -30.58 55.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.963 -1.086 . . . . 0.0 108.449 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.31 -1.0 67.02 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.61 -41.22 89.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.805 -1.409 . . . . 0.0 108.261 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.83 169.44 22.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.675 -0.64 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.75 -168.04 27.43 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.78 -68.22 0.19 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.227 -1.16 . . . . 0.0 109.087 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.526 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 7.2 mmtt -179.59 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.387 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 34.4 m-70 -153.93 47.79 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.182 . . . . 0.0 111.014 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -131.27 144.92 51.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.69 125.99 38.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.077 -1.014 . . . . 0.0 110.692 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -106.58 152.68 23.4 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 31' ' ' GLU . 2.9 ttpm? -46.88 -47.23 21.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.698 -1.251 . . . . 0.0 110.311 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.6 m -49.01 -10.79 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.096 -1.002 . . . . 0.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.06 -45.17 5.48 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -55.41 35.2 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.147 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -63.07 -39.83 95.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.776 -1.203 . . . . 0.0 109.136 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 51.4 tp10 -74.66 -31.04 61.81 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.956 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.8 tp -76.8 -31.69 57.14 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.31 -39.24 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 108.76 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -81.91 -23.92 35.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.869 -179.641 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 22.9 m-20 -99.74 -42.18 6.96 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.118 -0.989 . . . . 0.0 111.989 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 41' ' ' SER . 26.1 tp10 -100.16 -69.95 0.75 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.808 -1.183 . . . . 0.0 110.621 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.81 0.17 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.3 p -88.55 -18.01 29.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.878 -1.139 . . . . 0.0 109.802 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.05 -28.1 21.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.082 -1.011 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.02 -40.6 5.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.54 -0.725 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tp -102.67 128.18 49.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 109.19 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -55.07 140.28 38.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.677 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.1 pm0 -71.1 104.73 3.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.26 -0.9 . . . . 0.0 109.07 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 47' ' ' ILE . 23.5 pt -64.0 135.19 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.98 -1.075 . . . . 0.0 109.755 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -97.21 -13.93 21.74 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 51' ' ' GLU . 85.9 mt-10 -123.91 123.85 41.33 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.531 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.8 mp0 -53.87 -12.23 0.53 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.131 -0.981 . . . . 0.0 108.45 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 49' ' ' GLU . 42.3 tt0 -38.34 -51.6 1.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.709 -0.619 . . . . 0.0 112.283 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -35.7 73.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.502 -1.374 . . . . 0.0 107.56 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -67.49 -23.96 30.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 178.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLN . 29.7 t0 -78.1 -34.57 50.04 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.79 -42.76 19.27 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -55.07 -44.16 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.791 -1.193 . . . . 0.0 108.282 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.9 mtt -60.25 -33.34 72.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.479 -0.763 . . . . 0.0 109.464 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.54 -27.86 67.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.959 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.8 m -92.62 -27.04 17.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.41 -0.806 . . . . 0.0 109.554 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.84 -45.71 5.37 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 34.8 t0 -55.33 111.28 0.84 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.384 -1.448 . . . . 0.0 109.671 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -89.65 -45.45 9.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 p30 -79.56 -3.05 45.18 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.45 43.27 98.93 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 107.661 -2.176 . . . . 0.0 107.661 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 50.2 p30 -92.08 -5.79 52.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.511 -0.993 . . . . 0.0 110.331 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 75.14 0.05 60.18 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.0 mt-10 -126.47 171.26 11.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' ASP . 23.4 m -127.47 94.27 3.94 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.145 -0.972 . . . . 0.0 110.652 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 68' ' ' CYS . 14.5 p30 -53.0 -169.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -78.07 -29.74 49.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.645 -1.284 . . . . 0.0 111.048 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.56 -42.55 78.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.985 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -32.03 16.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.754 -1.216 . . . . 0.0 109.353 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.67 -44.84 70.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.611 -1.305 . . . . 0.0 108.154 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -61.85 -45.16 94.98 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 177.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.93 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.6 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.15 -50.84 29.12 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 118.626 -1.23 . . . . 0.0 108.116 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.3 t -56.64 -34.17 41.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.263 -0.898 . . . . 0.0 108.751 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CB ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -65.51 -33.82 76.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ttp -75.05 -25.82 58.96 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.68 -35.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.9 m -73.65 -33.78 64.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 78' ' ' SER . 17.1 p -68.9 -36.18 77.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.683 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.68 82.94 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.673 -1.267 . . . . 0.0 109.029 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.48 -3.34 46.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 80.0 t60 -103.25 -37.69 7.57 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.328 -0.858 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.78 -26.2 34.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 109.234 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.55 -57.21 11.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 0.0 109.28 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 t80 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.237 -0.915 . . . . 0.0 109.384 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.19 -19.79 63.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.534 -0.729 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -71.22 -27.56 63.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -71.54 -48.37 49.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.4 -55.19 26.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.503 0.668 . . . . 0.0 110.176 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -50.66 -39.41 50.7 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.389 -0.82 . . . . 0.0 109.791 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.18 20.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.025 -1.047 . . . . 0.0 109.346 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.09 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.251 -0.906 . . . . 0.0 109.719 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.549 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 8.9 mp -80.72 -49.04 11.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.842 -1.161 . . . . 0.0 110.899 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' B' ' 10' ' ' LEU . 58.2 mt -45.74 -28.47 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.695 -1.253 . . . . 0.0 109.538 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.54 -49.46 12.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 109.275 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -77.11 -27.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.317 -0.864 . . . . 0.0 109.193 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' B' ' 10' ' ' LEU . 3.6 t80 -73.2 -47.86 40.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.486 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 5.5 t-80 -73.86 -35.31 64.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 110.569 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.11 -37.32 87.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.827 -1.17 . . . . 0.0 109.74 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -90.86 -58.76 2.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.974 -1.079 . . . . 0.0 109.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 33.8 p -54.88 -30.29 57.72 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.005 -1.059 . . . . 0.0 108.483 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.46 -1.07 66.65 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -59.56 -41.29 89.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.848 -1.383 . . . . 0.0 108.286 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.62 169.76 21.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.606 -0.684 . . . . 0.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.48 -167.99 27.75 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -50.96 -68.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.202 -1.176 . . . . 0.0 109.025 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.523 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 7.2 mmtt -179.63 -7.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 109.36 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 35.1 m-70 -153.9 47.73 0.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.801 -1.187 . . . . 0.0 111.074 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -131.29 144.92 51.63 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 125.86 38.43 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.14 -0.975 . . . . 0.0 110.732 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -106.48 152.91 23.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' B' ' 31' ' ' GLU . 2.8 ttpm? -47.03 -47.29 22.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.611 -1.306 . . . . 0.0 110.254 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.9 m -48.92 -10.8 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.063 -1.023 . . . . 0.0 110.88 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -101.0 -45.33 5.44 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -55.22 37.69 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.115 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -63.25 -39.76 95.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.784 -1.197 . . . . 0.0 109.132 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.4 tp10 -74.74 -31.11 61.73 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.896 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.7 tp -76.67 -31.81 57.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.29 -39.21 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.302 -0.874 . . . . 0.0 108.81 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.6 OUTLIER -81.88 -23.85 36.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.483 -0.761 . . . . 0.0 110.902 -179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 23.6 m-20 -99.88 -42.14 6.93 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.123 -0.986 . . . . 0.0 111.938 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' B' ' 41' ' ' SER . 26.2 tp10 -100.16 -69.98 0.75 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.793 -1.192 . . . . 0.0 110.596 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 0.0 109.549 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.3 p -88.62 -18.06 28.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 109.748 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -88.0 -28.03 21.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.93 -40.87 5.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.577 -0.702 . . . . 0.0 109.372 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -102.51 128.21 49.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.399 -0.813 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -55.11 140.33 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.1 pm0 -70.98 104.53 3.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.4 HG22 HD13 ' B' ' 47' ' ' ILE . 22.9 pt -63.83 135.1 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 1.1 mppt? -97.17 -13.99 21.75 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' B' ' 51' ' ' GLU . 85.1 mt-10 -123.93 123.87 41.36 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.533 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 1.8 mp0 -53.82 -12.23 0.51 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.121 -0.987 . . . . 0.0 108.472 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' B' ' 49' ' ' GLU . 41.4 tt0 -38.34 -51.57 1.52 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.728 -0.608 . . . . 0.0 112.29 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -35.76 73.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 118.287 -1.365 . . . . 0.0 107.585 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.6 OUTLIER -67.45 -24.01 30.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.5 t0 -78.07 -34.57 50.26 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.76 -42.9 19.12 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -54.88 -44.22 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.87 -1.144 . . . . 0.0 108.395 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.445 ' O ' ' N ' ' B' ' 61' ' ' ASP . 20.2 mtt -60.23 -33.53 72.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 0.0 109.396 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.37 -27.99 67.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.114 -0.991 . . . . 0.0 109.009 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -92.4 -26.92 17.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 109.57 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.92 -45.78 5.32 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.304 -0.872 . . . . 0.0 110.804 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 34.6 t0 -55.27 111.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.398 -1.439 . . . . 0.0 109.788 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -89.52 -45.43 9.41 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 5.3 p30 -79.62 -3.03 45.29 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.3 43.51 98.48 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.524 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 51.5 p30 -92.23 -5.82 51.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.517 -0.99 . . . . 0.0 110.289 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 75.01 0.27 60.08 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.6 mt-10 -126.51 171.39 11.11 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' B' ' 69' ' ' ASP . 23.2 m -127.57 94.28 3.93 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.147 -0.97 . . . . 0.0 110.666 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 68' ' ' CYS . 14.8 p30 -53.07 -170.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -77.9 -29.75 50.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 111.067 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.54 -42.61 78.18 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.129 -0.982 . . . . 0.0 110.94 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.18 -31.87 16.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.694 -1.254 . . . . 0.0 109.361 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -53.82 -44.71 70.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.575 -1.328 . . . . 0.0 108.072 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -61.92 -45.32 94.23 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.2 -21.97 3.88 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.592 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -71.08 -50.84 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.68 -1.208 . . . . 0.0 108.111 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.2 t -56.67 -34.17 41.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 108.762 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.475 ' OG ' ' CB ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.621 0.724 . . . . 0.0 109.086 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.5 ttp -75.09 -25.68 58.74 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.2 t -86.67 -35.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.48 ' N ' ' O ' ' B' ' 77' ' ' VAL . 15.3 m -73.76 -33.73 64.41 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 78' ' ' SER . 17.8 p -68.85 -36.35 78.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 110.798 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.66 83.49 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.685 -1.259 . . . . 0.0 109.005 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 16.0 p -79.72 -3.26 46.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.264 -0.898 . . . . 0.0 109.515 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.461 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 80.1 t60 -103.19 -37.83 7.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.362 -0.836 . . . . 0.0 109.371 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.73 -26.33 34.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.25 -57.37 11.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 0.0 109.366 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.46 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.4 0.619 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 7' ' ' MET . 2.5 mt -72.67 -22.41 60.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 tp10 -76.38 -34.19 58.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.679 -1.263 . . . . 0.0 108.98 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -68.87 -46.38 68.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.987 . . . . 0.0 108.638 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.53 45.42 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 14.7 mtt -49.42 -40.61 37.09 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.568 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.64 -49.55 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.0 109.415 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.213 -0.929 . . . . 0.0 109.18 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -79.79 -53.72 6.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 0.0 110.378 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.1 mt -46.07 -33.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.218 -0.926 . . . . 0.0 109.55 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.48 -50.46 31.35 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -75.81 -26.27 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.19 -0.944 . . . . 0.0 109.117 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.2 m-85 -69.2 -53.5 19.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.24 -26.03 59.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 110.76 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.09 -40.22 82.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.562 -1.336 . . . . 0.0 110.072 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.635 ' HH ' ' ND2' ' A' ' 38' ' ' ASN . 12.7 m-85 -90.72 -54.59 3.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 109.066 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -56.62 -22.21 32.54 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.84 -1.99 59.78 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 46.3 ttt180 -61.68 -44.3 97.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.873 -1.369 . . . . 0.0 108.399 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.95 169.67 22.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.527 -0.733 . . . . 0.0 109.667 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.4 -167.98 18.31 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -49.51 -58.29 5.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.968 . . . . 0.0 109.265 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -179.66 -42.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -133.29 58.18 1.78 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.458 -0.776 . . . . 0.0 110.496 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 18' ' ' SER . 9.0 tppt? -131.14 143.98 51.03 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 130.1 41.07 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.053 -1.029 . . . . 0.0 110.574 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 66.9 mttt -107.87 153.84 22.44 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 31' ' ' GLU . 19.7 ttpp -45.5 -46.96 14.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.961 -1.087 . . . . 0.0 109.321 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -48.85 -11.6 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.331 -0.856 . . . . 0.0 109.467 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 29' ' ' LYS . 36.1 mt-10 -97.26 -37.05 10.22 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 109.347 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -59.64 4.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.809 -1.182 . . . . 0.0 108.335 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -56.75 -36.91 70.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 85.8 mt-10 -82.35 -37.07 26.21 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.104 -0.998 . . . . 0.0 110.136 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.6 tp -71.99 -29.72 64.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.147 -0.971 . . . . 0.0 109.26 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 36' ' ' ILE . 59.6 mt -78.13 -41.08 26.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.629 -0.669 . . . . 0.0 110.458 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -81.84 -27.21 33.68 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.156 -0.965 . . . . 0.0 112.209 -178.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.635 ' ND2' ' HH ' ' A' ' 17' ' ' TYR . 1.6 p-10 -90.08 -43.17 10.67 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.575 -1.328 . . . . 0.0 111.79 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 32.9 mm-40 -102.39 -61.1 1.44 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.984 -1.072 . . . . 0.0 110.473 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 44' ' ' LEU . 3.2 mt -78.11 34.96 0.2 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.2 -17.94 33.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.031 . . . . 0.0 110.084 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.23 -18.46 18.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.945 -1.097 . . . . 0.0 109.737 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CZ ' ' CD ' ' B' ' 4' ' ' GLU . 49.7 m-85 -113.07 -37.36 4.8 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.406 -0.809 . . . . 0.0 109.546 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -110.22 130.23 55.58 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -52.17 135.21 32.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.94 103.14 3.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.845 . . . . 0.0 108.971 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 pt -63.25 140.31 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.057 -1.027 . . . . 0.0 109.895 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -108.41 -18.11 13.83 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.97 148.23 35.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' ASP . 21.0 mt-30 -83.92 -19.98 33.79 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.213 -0.93 . . . . 0.0 109.23 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -41.06 -46.01 2.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -0.857 . . . . 0.0 111.971 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.01 -37.26 53.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.585 -1.322 . . . . 0.0 107.965 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -24.24 34.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 30.5 t0 -77.33 -33.15 55.57 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -80.08 -49.27 12.0 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -50.62 -44.06 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.781 -1.199 . . . . 0.0 108.614 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.5 mtt -57.95 -37.86 74.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.391 -0.818 . . . . 0.0 109.035 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.47 -35.03 73.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 m -87.02 -33.8 19.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.52 -47.92 6.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.01 -1.056 . . . . 0.0 110.429 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 4.7 t0 -55.04 108.86 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.261 -1.524 . . . . 0.0 108.631 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -84.42 -50.15 8.03 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.74 -1.19 23.77 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 53.55 46.18 66.13 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 40.2 p-10 -93.94 -5.55 47.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.577 -0.955 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.49 -0.56 89.25 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 17.6 mp0 -131.18 162.64 29.48 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 34.5 m -116.76 99.26 7.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.352 -0.843 . . . . 0.0 111.389 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 33.5 t0 -51.76 -176.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.7 OUTLIER -73.95 -29.14 61.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.515 -1.366 . . . . 0.0 111.314 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.0 -39.7 65.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.865 -1.147 . . . . 0.0 111.857 -177.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 4.7 pt-20 -89.18 -32.92 17.23 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.19 -1.569 . . . . 0.0 108.229 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.5 t80 -53.07 -46.62 68.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.069 -1.02 . . . . 0.0 108.34 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -43.86 94.74 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.85 -20.57 2.31 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.159 -1.016 . . . . 0.0 109.368 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.01 -52.2 18.17 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.444 ' O ' ' OG1' ' A' ' 81' ' ' THR . 58.2 t -53.39 -36.23 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 82' ' ' THR . 8.5 t -65.21 -31.18 72.21 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.958 0.885 . . . . 0.0 108.858 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.17 -31.78 61.09 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.562 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.14 -31.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 21.8 m -72.77 -36.75 67.71 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.8 p -66.31 -39.45 89.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.187 -0.945 . . . . 0.0 110.478 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.17 95.71 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.68 -1.262 . . . . 0.0 108.745 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.16 -23.77 67.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.49 -34.39 12.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.435 -0.791 . . . . 0.0 108.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -75.12 -48.38 24.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.512 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -51.87 -45.2 64.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.399 -0.813 . . . . 0.0 109.858 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.493 ' O ' ' SD ' ' B' ' 7' ' ' MET . 2.6 mt -72.41 -22.64 61.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -0.963 . . . . 0.0 109.981 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.476 ' CD ' ' CZ ' ' A' ' 43' ' ' PHE . 30.3 tp10 -76.18 -34.35 59.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.786 -1.197 . . . . 0.0 109.042 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -69.01 -46.21 68.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 108.589 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.52 45.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 14.3 mtt -49.27 -40.67 35.22 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.382 -0.823 . . . . 0.0 109.61 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.46 -49.61 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.21 69.18 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.302 -0.874 . . . . 0.0 109.195 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.8 -53.87 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 110.407 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.98 -33.29 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.39 -50.64 30.02 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.394 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.6 -26.33 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.319 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.2 m-85 -69.08 -53.4 20.51 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.985 -1.072 . . . . 0.0 110.556 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -26.12 60.1 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.717 -1.239 . . . . 0.0 110.755 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.12 -40.23 82.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.557 -1.339 . . . . 0.0 110.109 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.535 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 12.8 m-85 -90.72 -54.86 3.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.941 -1.099 . . . . 0.0 109.042 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.9 OUTLIER -56.43 -22.17 30.09 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.74 -2.13 59.9 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 44.7 ttt180 -61.77 -44.2 97.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.853 -1.381 . . . . 0.0 108.487 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.95 169.77 21.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.606 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.15 -167.99 18.61 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.48 -58.21 5.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.578 -0.954 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -179.74 -42.85 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -133.3 58.3 1.77 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.396 -0.815 . . . . 0.0 110.451 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.428 ' N ' ' OG ' ' B' ' 18' ' ' SER . 9.1 tppt? -131.35 143.95 50.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.67 130.29 41.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.15 -0.969 . . . . 0.0 110.565 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.484 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 67.9 mttt -108.0 153.86 22.48 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' B' ' 31' ' ' GLU . 19.2 ttpp -45.54 -46.85 14.3 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.994 -1.066 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -49.07 -11.29 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.478 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 29' ' ' LYS . 36.0 mt-10 -97.48 -37.06 10.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.37 -0.831 . . . . 0.0 109.335 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -59.89 4.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.852 -1.155 . . . . 0.0 108.277 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -56.53 -37.0 69.88 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.485 -0.759 . . . . 0.0 109.995 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 86.5 mt-10 -82.43 -36.91 26.19 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.117 -0.989 . . . . 0.0 110.18 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' B' ' 31' ' ' GLU . 63.9 tp -71.92 -30.12 65.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.404 HG22 HD11 ' B' ' 36' ' ' ILE . 57.8 mt -77.98 -40.99 27.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.653 -0.654 . . . . 0.0 110.406 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER -81.9 -27.03 33.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.122 -0.986 . . . . 0.0 112.1 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 1.6 p-10 -90.26 -43.25 10.51 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.628 -1.295 . . . . 0.0 111.836 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 33.1 mm-40 -102.3 -60.88 1.47 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.997 -1.064 . . . . 0.0 110.504 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' LEU . 3.1 mt -78.25 34.97 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.108 -0.995 . . . . 0.0 109.587 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.423 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.938 -1.102 . . . . 0.0 110.135 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.33 -18.26 18.43 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.992 -1.067 . . . . 0.0 109.874 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 4' ' ' GLU . 49.5 m-85 -113.3 -37.62 4.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.527 -0.733 . . . . 0.0 109.441 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 40' ' ' LEU . 15.3 tp -109.8 130.25 55.54 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -52.22 135.23 32.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.023 -1.048 . . . . 0.0 109.669 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.02 103.14 3.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.905 . . . . 0.0 108.924 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 pt -63.18 140.45 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.105 -0.997 . . . . 0.0 109.875 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -108.64 -18.08 13.81 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.06 148.36 35.36 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' B' ' 54' ' ' ASP . 22.0 mt-30 -83.87 -20.19 33.53 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -40.93 -46.02 2.69 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.466 -0.771 . . . . 0.0 111.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.14 -37.08 51.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.521 -1.362 . . . . 0.0 107.873 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -65.62 -24.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.6 t0 -77.15 -33.45 56.64 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -79.66 -49.33 12.29 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -50.71 -44.01 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.814 -1.179 . . . . 0.0 108.666 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 19.8 mtt -57.94 -37.7 74.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.798 . . . . 0.0 109.083 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.48 -34.94 73.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.412 -0.805 . . . . 0.0 109.344 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 27.8 m -87.24 -33.65 19.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.839 . . . . 0.0 110.036 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.69 -48.0 6.8 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.086 -1.009 . . . . 0.0 110.463 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 4.7 t0 -54.98 108.74 0.43 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.259 -1.526 . . . . 0.0 108.662 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -84.36 -50.29 7.95 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.69 -1.29 24.13 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 53.72 46.16 67.58 Favored Glycine 0 N--CA 1.485 1.967 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 40.3 p-10 -94.01 -5.65 47.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.459 -1.024 . . . . 0.0 109.412 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.7 -0.63 89.18 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.4 mp0 -131.11 162.51 29.71 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 34.2 m -116.67 99.62 7.26 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.388 -0.82 . . . . 0.0 111.3 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 34.0 t0 -52.01 -176.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -29.42 61.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.461 -1.399 . . . . 0.0 111.306 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.494 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -72.62 -39.74 67.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.794 -1.191 . . . . 0.0 111.951 -177.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.6 pt-20 -89.14 -33.02 17.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.262 -1.524 . . . . 0.0 108.282 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.479 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.5 t80 -53.15 -46.66 68.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 108.285 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -44.09 94.04 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.63 -20.61 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.363 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -72.08 -52.27 17.64 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.46 ' O ' ' OG1' ' B' ' 81' ' ' THR . 59.1 t -53.23 -36.24 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 122.019 0.914 . . . . 0.0 108.638 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 70' ' ' PHE . 8.5 t -65.08 -31.32 72.47 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.883 0.849 . . . . 0.0 108.83 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.15 -31.69 61.11 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.755 -0.591 . . . . 0.0 109.564 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.1 -32.16 6.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 21.6 m -72.75 -36.94 67.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 78' ' ' SER . 7.4 p -66.08 -39.65 90.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 110.431 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.3 96.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.776 -1.203 . . . . 0.0 108.73 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.12 -23.56 67.17 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.523 -0.871 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.57 -34.47 12.64 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 82' ' ' THR . 36.6 tt0 -75.13 -48.3 24.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.558 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -51.96 -45.0 64.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.041 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.363 -0.836 . . . . 0.0 109.859 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -25.77 60.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -75.28 -31.61 60.78 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.53 -1.356 . . . . 0.0 109.557 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -63.85 -43.08 97.22 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.19 -0.944 . . . . 0.0 108.588 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.91 64.08 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 109.811 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.8 mtt -52.26 -43.3 64.31 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.32 -49.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.265 -0.897 . . . . 0.0 109.736 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.71 66.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.52 -0.737 . . . . 0.0 109.224 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.34 -52.59 7.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.09 -1.006 . . . . 0.0 110.287 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mt -45.74 -30.54 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.145 -0.972 . . . . 0.0 109.538 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 99.2 m-20 -76.14 -49.08 18.3 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.66 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -78.91 -26.8 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.149 -0.969 . . . . 0.0 109.031 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.98 -53.72 13.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -71.21 -31.53 67.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 0.0 110.743 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 37.3 mm-40 -67.94 -36.97 81.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.839 -1.163 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -93.92 -56.96 2.69 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.009 . . . . 0.0 109.305 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -52.95 -23.36 7.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.659 -1.275 . . . . 0.0 108.253 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.82 -3.16 55.08 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 34' ' ' GLU . 44.6 ttt85 -55.2 -37.59 67.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.514 . . . . 0.0 108.587 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -170.38 172.98 5.85 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.471 -0.768 . . . . 0.0 109.745 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.37 -177.33 26.0 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -51.28 -58.75 5.36 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.188 -1.183 . . . . 0.0 108.535 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 169.13 144.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 41.53 46.94 3.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.558 -0.714 . . . . 0.0 111.984 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -138.47 147.44 43.23 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.559 -1.338 . . . . 0.0 107.542 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.79 125.13 42.46 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.251 -0.906 . . . . 0.0 112.169 -177.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -110.27 159.55 17.31 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HZ2' ' NE2' ' A' ' 50' ' ' GLN . 46.1 mtmt -51.04 -41.1 59.64 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.799 -1.188 . . . . 0.0 109.681 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -54.88 -18.48 4.96 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 109.635 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 72.5 mt-10 -102.69 -34.42 9.06 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -49.37 56.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.378 -0.826 . . . . 0.0 109.085 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.31 -36.94 74.62 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 50.4 tt0 -76.94 -32.22 57.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.833 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 49.8 tp -73.76 -33.63 64.36 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.922 -1.111 . . . . 0.0 108.708 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.14 -37.71 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.041 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.55 -22.52 47.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.971 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -91.86 -43.89 9.24 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.978 -1.076 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.8 mm-40 -110.28 -61.58 1.64 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.87 -1.144 . . . . 0.0 110.818 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.11 31.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.9 -1.125 . . . . 0.0 110.258 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLU . 23.8 t -85.26 -19.47 31.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.964 -1.085 . . . . 0.0 108.595 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.09 -21.13 21.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.305 -0.872 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -108.97 -32.99 7.04 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.55 129.18 56.61 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.96 140.94 18.96 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.907 -1.12 . . . . 0.0 109.759 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.89 103.54 0.46 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.904 -1.122 . . . . 0.0 109.357 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.85 132.94 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 109.707 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -105.62 -12.97 15.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.54 122.48 38.3 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.518 ' NE2' ' HZ2' ' A' ' 29' ' ' LYS . 4.8 pt20 -60.2 -17.08 38.83 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.308 -0.87 . . . . 0.0 109.85 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.97 -40.18 4.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.061 . . . . 0.0 111.278 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.25 -37.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -64.34 -25.16 37.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.45 -34.11 54.58 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -74.33 -55.22 6.26 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -52.08 -43.27 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ASP . 20.2 mmm -62.35 -27.81 69.32 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.55 -38.51 84.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.27 -26.94 38.71 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.823 -0.548 . . . . 0.0 109.92 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.53 -44.19 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.297 -0.877 . . . . 0.0 110.678 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' MET . 53.7 t0 -55.41 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.408 -1.432 . . . . 0.0 109.105 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.21 -38.43 13.47 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.1 p30 -76.01 -4.91 43.79 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.14 45.8 93.52 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -105.0 -4.48 21.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.63 -0.924 . . . . 0.0 110.182 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.16 -3.76 56.91 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -120.88 166.57 13.61 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.482 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 11.5 m -126.96 92.07 3.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.385 -0.822 . . . . 0.0 110.145 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -53.05 -175.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -69.63 -28.75 66.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.11 -0.994 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -68.33 -45.22 73.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 111.701 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.65 -32.56 16.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.379 -1.451 . . . . 0.0 108.775 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -51.77 -45.06 63.63 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.835 -1.165 . . . . 0.0 108.822 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.21 -41.46 90.13 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -52.32 -23.07 5.24 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.159 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.27 -52.14 30.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.56 -31.89 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.498 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.51 ' HG ' ' N ' ' A' ' 79' ' ' MET . 7.4 p -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.791 -1.193 . . . . 0.0 107.836 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.51 ' N ' ' HG ' ' A' ' 78' ' ' SER . 3.5 ttp -76.58 -31.63 57.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.686 -0.633 . . . . 0.0 109.5 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.76 -32.03 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -68.84 -38.21 79.67 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.451 ' H ' ' HG1' ' A' ' 82' ' ' THR . 4.9 p -61.43 -37.49 83.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.57 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.43 70.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.688 -1.257 . . . . 0.0 107.95 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.5 t -53.47 -37.78 62.99 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -73.76 -28.76 61.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -75.08 -49.23 20.35 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.565 -0.71 . . . . 0.0 109.545 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -53.64 -52.31 60.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.109 -0.994 . . . . 0.0 108.991 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 120.997 -1.064 . . . . 0.0 109.249 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.516 0.674 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.19 -25.76 60.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 110.253 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -75.58 -31.54 60.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.595 -1.316 . . . . 0.0 109.612 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -63.92 -43.17 96.72 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.12 67.51 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.044 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.7 mtt -53.2 -42.55 66.39 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.321 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.08 -49.01 46.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.126 -0.984 . . . . 0.0 109.783 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.109 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' PHE . 4.6 mt -80.55 -52.66 7.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.963 . . . . 0.0 110.165 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.9 mt -45.6 -31.03 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.166 -0.959 . . . . 0.0 109.538 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 99.5 m-20 -75.76 -49.09 19.18 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.703 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -79.26 -26.43 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.089 -1.007 . . . . 0.0 109.043 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.8 t80 -70.87 -54.86 9.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 109.235 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -70.46 -31.59 68.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.736 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' B' ' 12' ' ' ASP . 36.1 mm-40 -68.05 -36.85 80.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.842 -1.161 . . . . 0.0 109.996 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.92 -56.74 2.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.035 -1.041 . . . . 0.0 109.217 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.8 m -53.14 -23.23 7.72 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.735 -1.228 . . . . 0.0 108.33 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.77 -3.48 54.99 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -55.05 -37.38 66.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.624 -1.515 . . . . 0.0 108.497 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -170.91 172.81 5.41 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.96 -177.29 25.26 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 36.3 t0 -51.6 -58.19 7.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.151 -1.205 . . . . 0.0 108.575 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 5.4 mmtt 168.65 144.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 41.72 47.08 3.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.631 -0.668 . . . . 0.0 111.868 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -138.79 147.55 42.7 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.25 124.79 43.05 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.228 -0.92 . . . . 0.0 112.221 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -109.95 159.7 17.03 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.98 -41.05 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.874 -1.141 . . . . 0.0 109.76 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -55.3 -18.15 5.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.264 -0.897 . . . . 0.0 109.642 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 71.3 mt-10 -102.67 -34.94 8.87 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -49.73 55.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 109.294 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -69.77 -37.17 76.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.97 -32.22 57.11 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.856 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 50.8 tp -73.51 -33.93 65.02 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.002 -1.061 . . . . 0.0 108.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.402 HD12 HG22 ' B' ' 36' ' ' ILE . 44.5 mt -69.85 -38.11 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.426 -0.797 . . . . 0.0 108.997 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -78.22 -22.57 48.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.953 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.16 -43.63 9.24 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.906 -1.121 . . . . 0.0 111.975 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' B' ' 41' ' ' SER . 37.4 mm-40 -110.87 -61.41 1.69 Allowed 'General case' 0 N--CA 1.506 2.365 0 O-C-N 120.83 -1.169 . . . . 0.0 110.722 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.6 31.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.911 -1.118 . . . . 0.0 110.201 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.471 ' H ' ' C ' ' B' ' 39' ' ' GLU . 20.7 t -85.35 -19.41 31.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.694 -1.253 . . . . 0.0 108.658 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.02 -21.32 21.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 109.446 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -108.82 -32.05 7.45 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.19 128.68 56.48 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.07 141.27 18.66 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.983 -1.073 . . . . 0.0 109.677 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.96 103.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 109.478 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 pt -65.88 132.42 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.998 -1.064 . . . . 0.0 109.782 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -105.05 -12.71 16.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -123.81 121.94 36.72 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' B' ' 53' ' ' VAL . 4.7 pt20 -59.47 -17.56 32.36 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.285 -0.885 . . . . 0.0 109.982 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -43.54 -40.18 3.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.101 -0.999 . . . . 0.0 111.322 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.44 -37.4 37.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.461 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -64.03 -25.4 38.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 106.087 -1.819 . . . . 0.0 106.087 178.391 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.07 -33.69 57.11 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -74.68 -55.28 6.05 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -51.72 -44.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 22.5 mmm -61.87 -27.82 69.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.77 -38.4 83.37 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.39 -27.22 38.19 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.759 -0.588 . . . . 0.0 110.018 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.86 -44.11 6.84 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.254 -0.904 . . . . 0.0 110.699 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' B' ' 57' ' ' MET . 53.9 t0 -55.6 99.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.334 -1.479 . . . . 0.0 109.109 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.33 -38.7 13.18 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.2 p30 -75.86 -5.12 44.49 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.62 45.39 94.73 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -104.61 -4.22 22.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.761 -0.847 . . . . 0.0 110.054 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.51 -2.66 57.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -121.24 166.14 14.43 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.459 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 9.9 m -127.35 92.09 3.44 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.273 -0.892 . . . . 0.0 110.155 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -53.0 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -69.7 -29.02 66.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.084 -1.01 . . . . 0.0 110.406 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.8 -45.21 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.999 -1.063 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.9 -32.55 15.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.387 -1.446 . . . . 0.0 108.957 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -51.89 -44.75 63.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.861 -1.15 . . . . 0.0 108.667 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 4.4 ttt -66.19 -41.62 89.98 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.438 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -52.56 -23.14 5.81 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.024 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -68.98 -52.22 31.25 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' B' ' 81' ' ' THR . 94.9 t -58.38 -32.01 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.472 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.8 p -64.45 -30.85 71.88 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.681 -1.262 . . . . 0.0 107.805 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.13 -31.65 58.72 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.655 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.42 -32.9 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 25.5 m -68.19 -38.07 81.59 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -61.96 -37.47 84.86 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.33 70.27 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.496 -1.377 . . . . 0.0 107.89 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 25.8 t -53.21 -37.68 62.23 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -73.86 -28.74 61.73 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -74.83 -49.43 20.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.631 -0.668 . . . . 0.0 109.382 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -53.42 -52.32 59.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.285 -0.885 . . . . 0.0 109.12 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.5 t80 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.05 -1.031 . . . . 0.0 109.143 179.771 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 2.8 mm? -84.97 -26.97 26.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.389 -0.82 . . . . 0.0 110.117 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.3 -25.03 46.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.12 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -74.88 -50.54 16.6 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -54.42 46.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.496 -0.752 . . . . 0.0 110.209 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.502 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 8.1 mtm -54.67 -36.85 65.05 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.334 -0.854 . . . . 0.0 109.936 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.48 -47.5 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.891 -1.131 . . . . 0.0 108.724 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.14 -36.64 65.99 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.72 -0.612 . . . . 0.0 109.91 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.6 mp -79.91 -49.02 12.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.934 -1.104 . . . . 0.0 111.146 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . 53.3 mt -44.4 -29.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.719 -1.238 . . . . 0.0 109.731 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -79.16 -50.59 10.75 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.116 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -74.33 -27.07 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 109.208 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -73.22 -43.57 61.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.688 -0.632 . . . . 0.0 109.75 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 3.1 t-160 -78.12 -32.93 50.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.812 -1.18 . . . . 0.0 110.659 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -67.8 -37.61 82.23 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.951 -1.093 . . . . 0.0 110.741 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' OH ' ' OE1' ' A' ' 39' ' ' GLU . 30.9 m-85 -86.47 -54.66 4.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.81 -1.181 . . . . 0.0 108.595 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 p -55.52 -21.84 18.64 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 1.78 57.74 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -66.95 -47.03 72.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.921 -1.341 . . . . 0.0 109.26 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.99 151.26 29.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.411 -0.806 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 100.16 -160.06 19.33 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 6.2 t70 -49.52 -93.81 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.448 -1.031 . . . . 0.0 109.115 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 16.6 tptm -171.95 -8.95 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.377 -0.827 . . . . 0.0 109.809 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 12.4 m-70 -142.92 35.02 1.38 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.657 -1.277 . . . . 0.0 111.25 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.28 47.11 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.01 138.51 32.64 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.396 1.093 . . . . 0.0 110.511 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.4 mttm -108.84 156.59 19.48 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.526 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 31' ' ' GLU . 47.2 mtmt -44.83 -49.27 10.89 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.997 -1.064 . . . . 0.0 109.204 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -49.8 -15.76 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 0.0 109.051 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 35' ' ' LEU . 39.0 mt-10 -101.63 -47.57 4.59 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.322 -0.861 . . . . 0.0 109.513 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.98 -36.64 84.2 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.325 -0.859 . . . . 0.0 110.077 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.71 -36.72 25.59 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.636 -1.29 . . . . 0.0 108.164 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -77.15 -30.8 55.21 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.021 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.9 tp -72.02 -30.23 64.98 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -76.31 -39.15 34.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.249 -0.907 . . . . 0.0 109.418 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -82.69 -24.22 33.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 110.489 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.57 -44.17 7.62 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.908 -1.12 . . . . 0.0 111.168 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 1.5 mp0 -99.35 -69.53 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.104 -0.997 . . . . 0.0 110.054 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 38.92 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.041 -1.037 . . . . 0.0 109.325 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -92.91 -19.44 21.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.741 -1.224 . . . . 0.0 110.146 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.77 -20.32 21.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.888 -1.132 . . . . 0.0 108.938 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.6 -39.97 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.97 138.18 39.28 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' ILE . 34.8 mt-10 -48.17 132.93 15.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.51 84.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.83 . . . . 0.0 109.886 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.0 mt -56.25 123.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.951 -1.093 . . . . 0.0 108.59 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -115.07 -16.41 11.62 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -99.68 151.98 20.6 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -93.21 -29.04 15.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.116 -0.99 . . . . 0.0 109.781 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -48.35 -30.92 5.41 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.221 -0.924 . . . . 0.0 110.052 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.6 -37.98 37.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -23.2 29.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.65 -30.82 57.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.9 tptt -83.34 -52.5 6.49 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -46.75 -43.0 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.781 -1.199 . . . . 0.0 108.863 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 6.9 mtt -64.27 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' LYS . 25.1 tt0 -60.98 -32.03 71.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.008 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.9 m -90.17 -33.04 16.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.524 -0.735 . . . . 0.0 109.432 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.0 -43.95 10.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.185 -0.947 . . . . 0.0 110.231 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.2 t0 -55.97 96.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.556 -1.34 . . . . 0.0 109.854 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.62 -36.87 14.15 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 16.9 p-10 -82.01 -3.56 54.76 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.93 45.54 95.44 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 67' ' ' GLU . 53.5 p30 -99.08 -6.04 29.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.477 -1.014 . . . . 0.0 109.554 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.85 -1.25 6.04 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 65' ' ' ASP . 2.3 mp0 -122.96 176.64 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 69' ' ' ASP . 68.8 m -128.01 87.56 2.63 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.264 -0.897 . . . . 0.0 110.333 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 35.6 t70 -52.49 -173.56 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.285 -0.884 . . . . 0.0 108.668 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.547 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 1.0 OUTLIER -74.66 -30.14 61.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.4 -1.437 . . . . 0.0 111.264 -179.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -70.53 -39.3 74.13 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.746 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.918 -1.114 . . . . 0.0 109.115 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.58 -45.1 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.064 -1.023 . . . . 0.0 109.057 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 178.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.55 -20.04 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.558 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -75.23 -51.83 12.37 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.348 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 81' ' ' THR . 78.4 t -54.74 -34.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.009 -1.057 . . . . 0.0 108.556 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 82' ' ' THR . 4.1 t -66.24 -28.95 69.12 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.048 -1.032 . . . . 0.0 108.336 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.8 -31.36 59.4 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.152 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.8 -31.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 178.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.576 ' HG1' ' CG ' ' B' ' 7' ' ' MET . 30.0 m -69.5 -38.23 77.53 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.7 p -64.45 -39.96 94.81 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.337 -0.852 . . . . 0.0 110.705 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.05 73.07 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.559 -1.338 . . . . 0.0 108.471 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -19.92 53.46 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.392 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.614 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 9.9 t-160 -86.12 -38.43 17.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.291 -0.881 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.33 -24.94 50.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 109.554 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.26 -41.39 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.242 -0.911 . . . . 0.0 109.31 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.6 t80 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 2.8 mm? -85.02 -26.93 26.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 0.0 110.116 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.41 -25.16 46.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.835 -1.166 . . . . 0.0 109.094 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -74.65 -50.58 17.19 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -54.05 50.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.221 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.576 ' CG ' ' HG1' ' A' ' 81' ' ' THR . 7.8 mtm -54.88 -36.7 65.41 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.389 -0.82 . . . . 0.0 109.928 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.7 -47.35 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.119 . . . . 0.0 108.73 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.03 -36.79 65.89 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.616 -0.678 . . . . 0.0 110.014 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -79.81 -49.05 12.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 0.0 111.112 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.2 mt -44.31 -28.99 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 120.775 -1.203 . . . . 0.0 109.789 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -79.21 -50.6 10.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.004 . . . . 0.0 109.038 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 -27.08 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.464 -0.772 . . . . 0.0 109.207 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 10' ' ' LEU . 0.7 OUTLIER -73.16 -43.58 61.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.571 -0.705 . . . . 0.0 109.682 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.614 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 3.0 t-160 -78.07 -32.96 51.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.839 -1.163 . . . . 0.0 110.651 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.7 -37.65 82.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.787 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.536 ' HH ' ' CD ' ' B' ' 39' ' ' GLU . 31.0 m-85 -86.49 -54.77 4.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 0.0 108.534 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -55.31 -22.05 17.26 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.99 1.75 57.91 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -66.84 -47.03 73.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.868 -1.372 . . . . 0.0 109.241 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.98 151.37 29.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 109.452 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 100.01 -159.8 19.45 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 6.2 t70 -49.75 -93.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.411 -1.052 . . . . 0.0 109.137 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.527 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 16.6 tptm -171.77 -8.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.913 . . . . 0.0 109.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 12.8 m-70 -142.76 34.97 1.41 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.682 -1.261 . . . . 0.0 111.411 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.34 47.17 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.1 138.51 32.71 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 122.412 1.101 . . . . 0.0 110.437 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 31' ' ' GLU . 41.6 mttm -109.0 156.5 19.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.492 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' B' ' 31' ' ' GLU . 46.8 mtmt -44.73 -49.46 10.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.921 -1.112 . . . . 0.0 109.166 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -49.6 -15.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.443 -0.786 . . . . 0.0 109.043 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 35' ' ' LEU . 40.1 mt-10 -101.64 -47.62 4.58 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.401 -0.812 . . . . 0.0 109.558 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.18 -36.33 83.29 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.42 -0.8 . . . . 0.0 110.042 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.81 -36.73 25.31 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.601 -1.312 . . . . 0.0 108.132 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.19 -30.69 54.93 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.991 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.2 tp -72.32 -30.29 64.63 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -76.04 -39.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.306 -0.872 . . . . 0.0 109.414 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -82.79 -24.34 33.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.063 -1.023 . . . . 0.0 110.422 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.44 -44.36 7.57 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.966 -1.084 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.536 ' CD ' ' HH ' ' B' ' 17' ' ' TYR . 1.5 mp0 -99.2 -69.46 0.76 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.062 -1.024 . . . . 0.0 110.078 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.97 38.79 0.11 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.445 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.83 -19.44 21.72 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.744 -1.222 . . . . 0.0 110.161 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -91.89 -20.2 21.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.968 -1.083 . . . . 0.0 108.925 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 -39.85 5.24 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 tp -102.11 138.18 39.39 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 47' ' ' ILE . 34.6 mt-10 -48.2 132.89 15.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.328 -0.858 . . . . 0.0 109.496 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.37 84.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 45' ' ' GLU . 6.6 mt -56.21 123.93 8.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 120.998 -1.064 . . . . 0.0 108.59 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.17 -16.23 11.58 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -99.67 151.65 20.97 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -93.18 -28.71 16.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -48.62 -30.85 5.83 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.226 -0.921 . . . . 0.0 109.982 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 p -75.58 -37.89 37.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -23.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -76.77 -30.8 56.68 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 5.9 tptt -83.13 -52.63 6.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -46.62 -43.14 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.764 -1.21 . . . . 0.0 108.872 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.472 ' O ' ' N ' ' B' ' 61' ' ' ASP . 7.0 mtt -64.25 -31.65 72.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.856 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 24.9 tt0 -61.08 -32.08 71.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.002 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -90.15 -32.93 16.43 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.474 -0.766 . . . . 0.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.14 -43.83 10.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.4 t0 -56.07 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.641 -1.287 . . . . 0.0 109.854 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -90.49 -37.01 14.19 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.3 p-10 -81.95 -3.31 54.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.76 45.54 95.52 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.177 -1.969 . . . . 0.0 108.177 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 67' ' ' GLU . 53.7 p30 -99.03 -6.04 29.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -1.045 . . . . 0.0 109.559 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.413 ' O ' ' OE2' ' B' ' 67' ' ' GLU . . . 66.71 -0.9 6.3 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 65' ' ' ASP . 2.4 mp0 -123.1 176.39 6.08 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' B' ' 69' ' ' ASP . 74.8 m -127.87 87.53 2.63 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.262 -0.899 . . . . 0.0 110.345 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.559 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 35.6 t70 -52.36 -173.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 108.736 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.559 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 1.0 OUTLIER -74.58 -30.15 61.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.442 -1.411 . . . . 0.0 111.232 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -70.5 -39.34 74.22 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.23 -0.918 . . . . 0.0 110.687 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -89.44 -35.92 15.74 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.995 -1.066 . . . . 0.0 109.098 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -53.57 -45.18 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.031 -1.043 . . . . 0.0 108.995 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -62.11 -43.4 98.92 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.06 1.77 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.593 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -74.96 -52.3 11.51 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.323 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' B' ' 81' ' ' THR . 77.1 t -54.39 -34.51 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 108.68 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' B' ' 82' ' ' THR . 4.4 t -66.37 -29.04 69.13 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.043 -1.036 . . . . 0.0 108.239 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.83 -31.27 59.28 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.114 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.9 -31.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.502 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 29.2 m -69.59 -38.24 77.23 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' B' ' 78' ' ' SER . 7.8 p -64.36 -40.05 95.1 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.212 -0.93 . . . . 0.0 110.66 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.9 72.97 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.552 -1.342 . . . . 0.0 108.423 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.16 -19.56 53.74 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.463 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 10.0 t-160 -86.3 -38.42 17.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 109.543 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.43 -25.05 50.31 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 109.45 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.09 -41.54 73.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.367 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.352 -179.783 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.253 0.549 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.99 -20.19 61.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.898 . . . . 0.0 109.991 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -73.93 -35.48 64.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.709 -1.244 . . . . 0.0 108.811 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.56 72.84 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 108.84 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.34 34.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.584 -0.697 . . . . 0.0 110.15 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 3.5 mtm -50.77 -39.67 53.08 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.098 -1.001 . . . . 0.0 109.631 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.67 -43.62 77.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.094 -1.004 . . . . 0.0 109.386 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.86 73.99 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.444 -0.785 . . . . 0.0 110.239 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.6 mp -80.15 -48.18 13.57 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.777 -1.202 . . . . 0.0 111.024 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.93 -29.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.719 -1.238 . . . . 0.0 109.893 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.28 -51.51 9.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.54 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.16 -25.73 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 108.899 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.4 t80 -70.85 -48.35 54.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 1.0 OUTLIER -74.88 -35.73 62.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.076 -1.015 . . . . 0.0 110.701 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.75 -40.02 94.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.871 -1.143 . . . . 0.0 110.15 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 24.2 m-85 -81.12 -53.16 6.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.987 -1.071 . . . . 0.0 108.4 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -56.79 -29.52 62.75 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -89.62 5.66 83.56 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -71.34 -51.96 21.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.96 -1.318 . . . . 0.0 109.277 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.27 168.22 24.68 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.305 -0.872 . . . . 0.0 110.606 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.81 -150.18 23.42 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.2 165.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -1.021 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -97.92 -14.77 20.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.456 -0.778 . . . . 0.0 111.096 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -126.61 27.27 6.13 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.678 -1.263 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 49.9 mtpt -136.88 148.81 47.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.11 135.14 34.57 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.293 1.044 . . . . 0.0 110.271 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.64 151.79 21.2 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 31' ' ' GLU . 38.1 mttm -43.68 -51.12 7.29 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.69 -1.256 . . . . 0.0 109.51 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -48.75 -13.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.424 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.0 mt-10 -101.32 -40.42 7.13 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.439 -0.788 . . . . 0.0 109.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.65 -47.78 68.58 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.267 -0.896 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -72.29 -35.79 68.79 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.604 -1.31 . . . . 0.0 108.686 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -76.26 -31.83 58.51 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.13 -0.981 . . . . 0.0 109.801 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 31.1 tp -69.72 -29.16 66.48 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -77.4 -38.72 26.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.4 t30 -85.51 -27.75 25.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.085 -1.01 . . . . 0.0 111.626 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -86.73 -46.82 9.66 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.592 -1.317 . . . . 0.0 113.278 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 41' ' ' SER . 5.5 tp10 -110.85 -48.24 3.15 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.682 -1.261 . . . . 0.0 109.638 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.78 27.9 0.28 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -85.04 -16.54 40.38 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.477 -0.764 . . . . 0.0 110.889 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.4 -24.12 14.58 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.954 -1.092 . . . . 0.0 110.148 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -50.92 3.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.21 -0.931 . . . . 0.0 108.669 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -90.85 140.15 30.08 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.002 . . . . 0.0 108.472 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -48.31 131.47 16.62 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 109.617 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -59.76 89.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 110.003 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 47' ' ' ILE . 1.9 mt -63.5 125.44 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -107.58 -17.79 14.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.547 -0.72 . . . . 0.0 109.296 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.79 148.18 24.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.418 -0.801 . . . . 0.0 109.241 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.21 -28.97 14.76 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 109.73 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.33 -29.4 6.04 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.698 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.74 -37.36 42.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -23.09 31.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.97 -34.21 38.83 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -77.66 -52.03 9.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.62 -0.675 . . . . 0.0 109.334 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.0 p -49.53 -42.33 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.5 mmt -55.6 -31.66 62.43 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.4 tp10 -63.21 -36.85 85.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.298 -0.876 . . . . 0.0 109.115 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -81.97 -32.05 30.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.296 -0.877 . . . . 0.0 109.675 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.14 -45.08 7.7 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.172 -0.955 . . . . 0.0 110.941 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' MET . 34.5 t0 -55.78 106.69 0.27 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.351 -1.468 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' B' ' 62' ' ' GLU . 32.5 tt0 -89.67 -47.47 7.92 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 4.9 p30 -76.06 -1.81 27.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.52 42.68 90.35 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 32.6 p30 -95.82 -3.57 45.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.709 -0.877 . . . . 0.0 109.905 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.63 9.95 66.21 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -129.35 169.97 14.23 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 30.8 m -127.67 87.55 2.64 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.525 -0.735 . . . . 0.0 109.886 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 27.6 t0 -50.47 -175.18 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.737 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.478 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 1.1 p90 -75.16 -30.74 60.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.926 -1.109 . . . . 0.0 110.707 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -71.49 -38.18 71.2 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.937 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -89.75 -38.15 14.03 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.075 -1.016 . . . . 0.0 108.86 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.94 -45.94 67.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.853 -1.154 . . . . 0.0 108.427 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -45.22 84.18 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -51.92 -18.6 1.4 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.496 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -74.95 -55.54 5.66 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.811 -1.18 . . . . 0.0 108.922 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.1 t -55.34 -33.03 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.082 -1.011 . . . . 0.0 108.723 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 37.7 p -65.27 -34.12 77.59 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.862 0.839 . . . . 0.0 109.245 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.54 -28.42 62.84 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.25 -35.02 9.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 19.8 m -69.23 -36.37 77.13 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 p -65.04 -41.05 95.54 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.277 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.35 69.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.447 -1.408 . . . . 0.0 108.639 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.07 -20.4 62.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.531 -0.73 . . . . 0.0 109.183 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 62.1 t60 -105.17 -30.52 9.65 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 109.395 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -75.38 -48.57 22.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.114 -0.991 . . . . 0.0 109.582 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.77 -29.58 63.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 109.541 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.95 -20.15 61.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.255 -0.903 . . . . 0.0 110.041 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -73.89 -35.49 64.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.757 -1.215 . . . . 0.0 108.825 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.59 72.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -55.34 34.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 3.5 mtm -50.63 -39.85 51.45 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.12 -0.987 . . . . 0.0 109.517 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.71 -43.42 77.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.139 -0.976 . . . . 0.0 109.411 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.84 74.15 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.418 -0.801 . . . . 0.0 110.142 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.6 mp -80.12 -48.24 13.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.828 -1.17 . . . . 0.0 110.96 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.412 HG21 HD12 ' B' ' 11' ' ' ILE . 74.0 mt -45.9 -29.09 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -79.23 -51.6 9.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 109.553 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.92 -25.92 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 108.927 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' B' ' 10' ' ' LEU . 6.3 t80 -70.69 -48.53 54.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.488 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -74.71 -35.91 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.095 -1.003 . . . . 0.0 110.649 -178.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.66 -39.98 94.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.898 -1.126 . . . . 0.0 110.168 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.422 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 24.1 m-85 -81.17 -53.32 6.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.379 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -56.8 -29.43 62.7 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 5.61 83.71 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -71.26 -52.05 21.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.903 -1.351 . . . . 0.0 109.255 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.32 168.03 25.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.31 -0.869 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.94 -149.93 24.6 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.39 166.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 109.669 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -98.1 -14.59 20.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.486 -0.759 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -126.64 27.09 6.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.797 -1.189 . . . . 0.0 111.248 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -136.72 148.83 47.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.04 135.03 34.58 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.245 1.021 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.57 151.97 20.97 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' B' ' 31' ' ' GLU . 38.2 mttm -43.8 -51.14 7.55 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.685 -1.259 . . . . 0.0 109.519 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -48.85 -13.46 0.05 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.462 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 29' ' ' LYS . 43.4 mt-10 -101.37 -40.39 7.12 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.564 -0.71 . . . . 0.0 109.477 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.8 -47.44 69.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -72.54 -35.8 68.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.564 -1.335 . . . . 0.0 108.609 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -76.31 -31.69 58.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.093 -1.005 . . . . 0.0 109.85 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 30.7 tp -69.71 -29.38 66.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.32 -38.78 27.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.419 ' O ' ' OG ' ' B' ' 41' ' ' SER . 1.4 t30 -85.45 -27.69 25.56 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.178 -0.951 . . . . 0.0 111.738 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -86.73 -46.8 9.68 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.584 -1.322 . . . . 0.0 113.343 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' B' ' 41' ' ' SER . 5.5 tp10 -110.86 -48.32 3.14 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.678 -1.263 . . . . 0.0 109.653 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.67 27.89 0.28 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.06 -16.62 40.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.861 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.47 -24.13 14.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.837 -1.164 . . . . 0.0 110.156 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.7 -51.07 3.53 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.307 -0.871 . . . . 0.0 108.705 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -90.78 140.2 30.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.054 -1.029 . . . . 0.0 108.495 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -48.33 131.59 16.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.711 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -59.85 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.543 -0.723 . . . . 0.0 110.013 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 47' ' ' ILE . 2.1 mt -63.5 125.58 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -107.65 -17.87 13.98 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.568 -0.708 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.76 148.42 23.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.45 -28.97 14.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.3 -0.875 . . . . 0.0 109.726 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.38 -29.36 6.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.2 -0.938 . . . . 0.0 109.671 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.81 -37.41 42.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.76 -23.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -79.93 -34.27 39.0 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.4 OUTLIER -77.56 -52.1 9.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.616 -0.677 . . . . 0.0 109.366 179.343 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -49.5 -42.35 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.5 mmt -55.57 -31.74 62.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 55' ' ' LYS . 10.4 tp10 -63.15 -36.97 85.37 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.217 -0.927 . . . . 0.0 109.086 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 m -81.99 -31.78 30.94 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 109.717 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.28 -45.27 7.57 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.198 -0.939 . . . . 0.0 110.893 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 57' ' ' MET . 34.6 t0 -55.62 106.54 0.26 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.402 -1.437 . . . . 0.0 109.998 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' A' ' 62' ' ' GLU . 30.6 tt0 -89.63 -47.3 8.04 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 4.8 p30 -76.04 -1.83 27.78 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.66 42.45 90.9 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 107.514 -2.235 . . . . 0.0 107.514 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 32.2 p30 -95.58 -3.56 46.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.607 -0.937 . . . . 0.0 109.926 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.73 9.75 66.17 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -129.0 170.06 13.92 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 27.5 m -127.71 87.54 2.64 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.517 -0.74 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 27.7 t0 -50.49 -175.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.444 -0.785 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 1.1 p90 -75.21 -30.85 60.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.884 -1.135 . . . . 0.0 110.689 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -71.45 -38.12 71.33 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 109.949 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -89.83 -38.03 14.05 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.105 -0.997 . . . . 0.0 108.971 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.98 -46.12 68.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.882 -1.136 . . . . 0.0 108.343 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -45.3 83.47 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -52.02 -18.5 1.42 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.492 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -74.9 -55.43 5.79 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 108.871 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' B' ' 81' ' ' THR . 75.2 t -55.48 -33.03 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.083 -1.011 . . . . 0.0 108.746 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 38.2 p -65.28 -33.96 77.21 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.754 0.788 . . . . 0.0 109.125 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.71 -28.47 62.69 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.15 -35.19 9.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 18.4 m -69.23 -36.19 76.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.8 p -65.22 -40.91 94.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.526 -0.87 . . . . 0.0 111.204 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.4 69.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.531 -1.355 . . . . 0.0 108.646 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.09 -20.09 62.38 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.544 -0.722 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.485 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 62.7 t60 -105.27 -30.56 9.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.466 -0.771 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -75.33 -48.81 21.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.069 -1.019 . . . . 0.0 109.486 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -72.51 -29.76 63.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.775 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.137 -0.977 . . . . 0.0 109.552 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.61 -26.72 58.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 110.211 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -76.97 -20.87 55.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.666 -1.271 . . . . 0.0 108.383 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -75.14 -50.6 15.77 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.75 21.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.0 110.956 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtt -52.64 -36.5 56.76 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.559 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.88 -41.13 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.668 -1.27 . . . . 0.0 109.581 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.75 76.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.3 mp -77.82 -45.05 25.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.984 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mm -46.05 -38.52 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.971 -1.081 . . . . 0.0 109.901 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.07 -51.69 17.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.104 -0.997 . . . . 0.0 110.323 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.94 -26.4 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.895 -1.128 . . . . 0.0 108.781 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 31.6 t80 -72.5 -48.79 37.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 109.813 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.457 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 3.3 t-160 -78.45 -30.58 47.56 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.012 -1.055 . . . . 0.0 110.71 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -67.55 -40.54 84.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.977 -1.077 . . . . 0.0 110.449 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' A' ' 39' ' ' GLU . 19.1 m-85 -79.11 -52.92 7.54 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 108.975 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' ASP . 21.7 m -56.07 -28.26 56.9 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 1.99 84.45 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -66.65 -50.12 63.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.236 . . . . 0.0 108.617 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -160.24 154.03 22.74 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.63 -136.14 41.69 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 12.7 m-20 -40.3 157.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.973 -0.722 . . . . 0.0 110.174 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HZ1' ' CE1' ' A' ' 15' ' ' HIS . 19.7 tttm -100.07 -25.07 14.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.526 -0.734 . . . . 0.0 110.333 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -133.2 33.1 3.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.196 -0.94 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.23 146.97 49.15 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 6.9 mp -100.14 136.17 40.45 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 123.03 1.395 . . . . 0.0 110.999 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 33.3 mttm -106.48 157.42 17.67 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 114.135 -1.393 . . . . 0.0 107.961 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 31' ' ' GLU . 27.8 mtmm -43.38 -50.92 6.71 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.324 -0.86 . . . . 0.0 109.49 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.28 -16.08 0.16 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 109.423 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LYS . 32.1 mt-10 -99.89 -36.71 9.32 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.275 -0.891 . . . . 0.0 109.055 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -51.14 31.41 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.549 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.26 -35.68 73.93 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.036 -1.04 . . . . 0.0 109.66 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -76.75 -31.29 57.0 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.006 -1.058 . . . . 0.0 109.772 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.6 tp -70.45 -39.01 74.56 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.73 -44.44 99.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.302 0.572 . . . . 0.0 109.665 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -81.68 -23.01 37.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.355 -0.841 . . . . 0.0 111.314 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.67 -46.13 11.03 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.587 -1.321 . . . . 0.0 111.69 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 41' ' ' SER . 2.5 mp0 -104.66 -61.18 1.49 Allowed 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.788 -1.195 . . . . 0.0 109.273 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.77 35.76 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.975 -1.078 . . . . 0.0 109.26 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -77.67 -20.1 54.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 108.579 178.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -99.34 -17.75 17.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.295 -0.878 . . . . 0.0 109.193 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.04 -56.5 2.19 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -89.86 129.91 36.17 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.89 140.03 31.9 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.51 106.0 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.907 -1.12 . . . . 0.0 109.782 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 pt -70.69 135.47 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.908 -1.12 . . . . 0.0 109.505 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 48' ' ' LYS . 8.8 mtmp? -103.86 -17.65 14.95 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.36 138.74 52.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.52 -14.71 59.6 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.145 -0.972 . . . . 0.0 109.439 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -46.86 -34.95 5.83 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.969 -1.082 . . . . 0.0 110.413 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.12 -37.98 26.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.519 -1.363 . . . . 0.0 107.72 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -23.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -77.5 -32.26 54.07 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -78.1 -55.5 5.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -49.07 -41.95 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.586 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.3 mmm -60.81 -29.05 69.23 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.0 tp10 -67.65 -38.12 83.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 108.449 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.3 m -78.73 -27.91 44.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.49 -0.756 . . . . 0.0 109.416 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.17 -44.35 6.63 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.265 -0.897 . . . . 0.0 111.328 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 57' ' ' MET . 37.1 t0 -56.06 100.93 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.113 -1.617 . . . . 0.0 110.032 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.75 -41.72 11.1 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 1.1 p30 -77.19 -4.75 46.27 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.07 44.35 97.38 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 67' ' ' GLU . 13.0 p30 -99.94 -5.83 27.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.473 -1.016 . . . . 0.0 109.965 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.23 0.86 17.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 65' ' ' ASP . 49.0 mt-10 -120.89 172.72 7.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 16.0 m -127.42 90.43 3.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.035 -1.041 . . . . 0.0 110.894 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' CYS . 20.4 m-20 -52.77 -174.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.094 -1.004 . . . . 0.0 108.568 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -73.9 -31.24 63.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.335 -1.478 . . . . 0.0 111.253 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -76.24 -30.31 57.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.075 -1.016 . . . . 0.0 110.734 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.71 -40.51 12.48 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.671 -1.268 . . . . 0.0 109.004 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 2.0 t80 -58.37 -38.78 77.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.126 0.965 . . . . 0.0 108.581 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 14.7 ttt -77.18 -16.37 59.13 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.87 -22.31 46.21 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.56 -49.8 30.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.74 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' THR . 49.9 t -57.26 -33.31 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.527 -1.358 . . . . 0.0 107.806 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.8 OUTLIER -63.59 -38.0 89.45 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.209 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttt -68.04 -26.31 65.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.8 t -85.02 -35.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' VAL . 22.2 m -71.63 -36.7 70.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 p -66.1 -41.02 91.17 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.301 -0.874 . . . . 0.0 110.877 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.681 -1.262 . . . . 0.0 108.006 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.6 m -76.58 -22.13 54.68 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.387 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 45.8 t60 -87.37 -36.45 17.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.92 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.3 -25.19 51.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.0 109.201 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -64.34 -56.12 16.58 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.25 -0.906 . . . . 0.0 109.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.495 1.777 0 O-C-N 120.933 -1.104 . . . . 0.0 109.507 -179.785 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -26.53 58.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.621 -0.674 . . . . 0.0 110.359 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -76.65 -21.0 56.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.855 -1.153 . . . . 0.0 108.409 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -75.34 -50.6 15.49 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.44 34.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 111.148 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.13 -36.53 60.9 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 110.454 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -76.54 -42.09 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.899 -1.126 . . . . 0.0 109.594 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.74 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.612 -0.68 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -77.68 -45.27 25.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.825 -1.172 . . . . 0.0 109.896 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -46.08 -37.94 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.935 -1.103 . . . . 0.0 109.868 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.5 -51.93 15.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.931 -1.105 . . . . 0.0 110.315 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.82 -26.66 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 108.691 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 10' ' ' LEU . 29.9 t80 -71.67 -49.53 38.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.342 -0.849 . . . . 0.0 109.725 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.564 ' CE1' ' HZ1' ' B' ' 24' ' ' LYS . 3.3 t-160 -78.19 -30.67 49.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.143 -0.973 . . . . 0.0 110.821 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -67.31 -40.07 85.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.933 -1.104 . . . . 0.0 110.133 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.474 ' OH ' ' OE1' ' B' ' 39' ' ' GLU . 20.5 m-85 -79.6 -52.92 7.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.48 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.1 m -56.04 -28.38 57.19 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.01 1.76 85.12 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.21 -50.05 62.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.05 -1.264 . . . . 0.0 108.681 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -159.46 154.83 25.49 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.09 -135.65 45.91 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 13.5 m-20 -40.33 158.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.872 -0.781 . . . . 0.0 110.32 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.564 ' HZ1' ' CE1' ' B' ' 15' ' ' HIS . 18.2 tttm -100.79 -23.55 14.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.664 -0.647 . . . . 0.0 110.145 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -134.63 32.65 3.29 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.842 -1.161 . . . . 0.0 110.646 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 146.93 49.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.53 136.58 40.19 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 122.815 1.293 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.6 mttm -107.07 158.2 17.24 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.974 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' B' ' 31' ' ' GLU . 29.6 mtmm -43.93 -50.48 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -48.75 -16.61 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.54 -0.725 . . . . 0.0 109.414 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 28' ' ' LYS . 30.1 mt-10 -99.84 -37.49 9.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.256 -0.902 . . . . 0.0 108.898 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.79 -51.16 36.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.185 -0.947 . . . . 0.0 109.827 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.01 -35.95 74.75 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.025 -1.047 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.06 -31.05 55.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.085 -1.01 . . . . 0.0 110.047 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 20.4 tp -70.05 -39.4 75.73 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.62 -44.9 99.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.015 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -81.21 -23.03 38.4 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 111.358 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.34 -46.0 11.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.619 -1.3 . . . . 0.0 111.548 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 41' ' ' SER . 2.9 mp0 -105.44 -60.64 1.59 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.802 -1.186 . . . . 0.0 109.402 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.401 ' H ' ' CD2' ' B' ' 40' ' ' LEU . 1.9 mm? -74.83 35.44 0.1 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.155 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -77.78 -19.88 54.28 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.955 . . . . 0.0 108.704 178.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -98.69 -19.53 17.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.223 -0.923 . . . . 0.0 109.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.02 -55.59 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.8 129.8 36.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.223 -0.923 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.04 139.4 28.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -66.48 106.46 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.924 -1.11 . . . . 0.0 109.638 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 pt -71.39 135.33 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.837 -1.164 . . . . 0.0 109.498 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 9.0 mtmp? -103.59 -17.47 15.15 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -118.37 138.12 52.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -76.88 -14.87 59.84 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 109.619 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -47.1 -34.54 6.06 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.028 -1.045 . . . . 0.0 110.24 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 m -77.43 -37.74 25.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.562 -1.336 . . . . 0.0 107.59 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -23.57 32.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 178.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.8 -33.02 52.72 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -77.57 -55.45 5.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.7 p -48.93 -42.43 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.581 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.3 mmm -60.14 -29.48 68.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 7.0 tp10 -67.31 -38.11 84.44 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.133 -0.979 . . . . 0.0 108.503 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.6 m -78.95 -27.7 43.6 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.34 -44.18 6.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.244 -0.91 . . . . 0.0 111.193 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.6 t0 -55.98 100.44 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 119.976 -1.703 . . . . 0.0 110.016 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.8 -41.71 11.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 1.1 p30 -76.6 -4.03 40.82 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.26 44.06 96.77 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' B' ' 67' ' ' GLU . 15.5 p30 -100.02 -5.48 28.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.391 -1.064 . . . . 0.0 110.016 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.22 0.91 17.86 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 65' ' ' ASP . 49.6 mt-10 -121.23 173.72 7.14 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.581 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 21.7 m -128.01 90.25 3.06 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.219 -0.925 . . . . 0.0 110.898 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 68' ' ' CYS . 19.3 m-20 -52.73 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 0.0 108.51 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -73.2 -31.65 64.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.562 -1.336 . . . . 0.0 111.292 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -75.74 -30.84 59.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.909 -1.119 . . . . 0.0 110.676 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -89.92 -40.1 12.6 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.703 -1.248 . . . . 0.0 108.965 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 2.1 t80 -58.13 -38.93 77.46 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 12.8 ttt -77.16 -16.41 59.14 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.6 46.3 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.31 -49.62 33.1 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.523 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 81' ' ' THR . 47.8 t -57.68 -32.75 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.641 -1.287 . . . . 0.0 107.891 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.519 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -63.85 -38.24 90.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.8 ttt -67.71 -26.73 66.31 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.99 -35.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 77' ' ' VAL . 18.1 m -71.81 -36.45 70.25 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -66.11 -40.34 90.66 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.133 -0.979 . . . . 0.0 110.887 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.51 69.84 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.711 -1.243 . . . . 0.0 107.814 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 66.5 m -77.12 -21.47 54.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.233 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.457 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 44.2 t60 -87.46 -36.83 17.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.184 -0.948 . . . . 0.0 109.163 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.8 -25.11 48.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.392 -0.818 . . . . 0.0 109.386 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.07 -55.64 20.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.799 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 mt -72.81 -16.57 61.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.931 -1.106 . . . . 0.0 110.178 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.57 -32.06 60.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.606 -1.308 . . . . 0.0 107.695 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.58 -44.73 77.49 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.38 79.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 109.799 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -54.97 -41.37 71.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.35 -0.843 . . . . 0.0 109.845 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.91 -43.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.634 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.76 -32.1 73.17 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.94 -49.54 11.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HG21 HD13 ' A' ' 11' ' ' ILE . 51.7 mt -46.79 -30.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.919 -1.113 . . . . 0.0 109.426 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -75.24 -51.5 13.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.69 -26.71 18.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.36 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 8.2 t80 -72.37 -46.76 53.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.95 . . . . 0.0 109.577 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 5.7 t-80 -75.87 -32.82 59.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.941 . . . . 0.0 110.525 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.13 -38.39 85.47 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.964 -1.085 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 34.4 m-85 -90.16 -59.67 2.13 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.003 -1.061 . . . . 0.0 109.325 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.413 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m -51.62 -25.16 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.157 -0.964 . . . . 0.0 108.628 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.72 -0.39 55.3 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 34' ' ' GLU . 21.3 ttt85 -58.42 -40.57 82.84 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.668 -1.489 . . . . 0.0 108.908 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.02 165.08 37.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.481 -0.762 . . . . 0.0 109.985 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -161.9 23.35 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -46.86 -81.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.474 -1.016 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 3.5 tmtm? -172.97 -8.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 109.063 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 16.8 m-70 -155.52 46.94 0.5 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.079 -1.013 . . . . 0.0 110.181 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -127.1 144.98 50.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.033 -1.042 . . . . 0.0 108.429 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.73 124.97 39.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.191 -0.943 . . . . 0.0 110.704 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 30.2 mttm -111.38 156.33 21.77 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' GLU . 19.4 ttpp -46.59 -47.64 19.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.805 -1.184 . . . . 0.0 110.402 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -46.46 -12.46 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 0.0 110.758 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' LYS . 6.3 mt-10 -101.14 -36.91 8.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.15 -0.969 . . . . 0.0 108.388 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -58.39 8.76 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 109.082 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.39 -34.44 77.97 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.238 -0.913 . . . . 0.0 109.649 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 20' ' ' ARG . 65.7 tt0 -78.36 -34.75 48.2 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.101 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.0 tp -71.21 -32.81 69.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.202 -0.936 . . . . 0.0 108.996 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 36' ' ' ILE . 78.8 mt -75.05 -36.23 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.655 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' HD21 ' A' ' 37' ' ' ASN . 2.7 m120 -82.09 -23.35 35.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.7 -44.14 7.24 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.061 -1.024 . . . . 0.0 111.86 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 41' ' ' SER . 25.6 mm-40 -103.52 -63.98 1.13 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.002 -1.061 . . . . 0.0 110.416 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.8 37.04 0.17 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 -179.444 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -91.83 -21.9 20.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.924 -1.11 . . . . 0.0 109.507 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -91.31 -22.51 20.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -49.73 3.68 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' LEU . 6.3 mp -102.66 130.03 49.45 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.85 141.78 16.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.873 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.82 104.5 2.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.286 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.9 pt -57.57 138.82 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.969 -1.082 . . . . 0.0 109.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -104.84 -17.85 14.43 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.43 139.01 52.07 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' ASP . 2.6 pt20 -76.01 -18.89 59.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -42.14 -40.46 2.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.111 -0.993 . . . . 0.0 111.287 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.4 -36.91 37.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.672 -1.268 . . . . 0.0 108.03 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -68.63 -23.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 178.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 m-20 -76.08 -33.07 59.54 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.54 17.85 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -40.05 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.826 -1.172 . . . . 0.0 108.357 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.6 mtt -64.54 -36.08 83.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.449 -0.782 . . . . 0.0 109.234 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -62.99 -29.3 70.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 108.989 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.8 m -87.79 -31.43 19.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.522 -0.736 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.18 -44.53 7.59 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.134 -0.979 . . . . 0.0 110.765 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' MET . 1.4 m-20 -55.37 111.45 0.88 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.491 -1.38 . . . . 0.0 110.262 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.07 -42.52 16.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 11.9 p30 -83.18 -1.91 54.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.86 43.54 94.71 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 107.604 -2.198 . . . . 0.0 107.604 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -95.37 -4.66 44.91 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.633 -0.922 . . . . 0.0 109.933 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 71.73 5.83 61.69 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.923 -2.071 . . . . 0.0 107.923 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -129.43 163.27 26.19 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' ASP . 3.3 m -127.24 98.63 5.35 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.325 -0.859 . . . . 0.0 111.163 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 18.8 t0 -53.91 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -77.16 -36.88 54.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.17 -1.582 . . . . 0.0 110.903 -179.01 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' OE1' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.1 -28.84 62.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.838 -1.164 . . . . 0.0 109.601 -178.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -89.9 -42.88 10.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -51.89 -42.77 62.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 108.829 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -43.77 98.19 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.71 -19.32 2.32 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.553 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -74.92 -55.37 5.85 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.311 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 81' ' ' THR . 52.2 t -55.53 -32.13 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.944 -1.097 . . . . 0.0 108.104 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 82' ' ' THR . 12.9 t -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.71 -32.07 57.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.783 -0.573 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -33.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 32.0 m -67.87 -38.82 83.58 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.4 p -61.34 -40.04 92.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.922 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.22 91.83 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.726 -1.234 . . . . 0.0 108.27 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.9 t -63.13 -24.77 68.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.646 -0.822 . . . . 0.0 108.957 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.496 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 65.4 t60 -96.35 -32.9 12.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.382 -0.824 . . . . 0.0 109.529 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -78.88 -43.76 24.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.62 -40.3 78.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.081 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.875 . . . . 0.0 109.459 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.83 -16.59 61.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.112 . . . . 0.0 110.169 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.54 -32.1 60.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.56 -1.337 . . . . 0.0 107.707 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.57 -44.51 78.03 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.18 79.16 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -55.06 -41.43 71.47 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 109.711 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.77 -43.6 40.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 109.645 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.93 73.11 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.302 -0.874 . . . . 0.0 109.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 14' ' ' PHE . 1.1 mt -79.98 -49.51 11.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.003 -1.06 . . . . 0.0 110.562 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.81 -30.76 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.837 -1.164 . . . . 0.0 109.45 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -75.13 -51.59 13.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 0.0 109.443 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.62 -26.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.163 -0.961 . . . . 0.0 109.318 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.3 t80 -72.18 -46.89 54.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 109.571 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.496 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 5.6 t-80 -75.97 -32.73 59.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.136 -0.978 . . . . 0.0 110.526 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.21 -38.41 85.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.003 -1.061 . . . . 0.0 109.793 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 34.6 m-85 -90.13 -59.68 2.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.346 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.407 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 4.0 m -51.42 -25.33 6.09 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.213 -0.929 . . . . 0.0 108.659 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.33 55.37 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' ' OE2' ' B' ' 34' ' ' GLU . 21.3 ttt85 -58.45 -40.54 82.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.727 -1.455 . . . . 0.0 108.96 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.0 165.1 37.1 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.486 -0.759 . . . . 0.0 110.031 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.27 -161.93 23.47 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -46.82 -81.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.394 -1.062 . . . . 0.0 109.292 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.469 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 3.6 tmtm? -172.91 -8.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.035 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 17.4 m-70 -155.59 46.93 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 110.227 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -127.16 145.0 50.91 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.098 -1.002 . . . . 0.0 108.378 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.79 125.02 40.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.276 -0.89 . . . . 0.0 110.738 -178.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -111.36 156.2 21.94 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.4 ttpp -46.56 -47.61 19.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 110.307 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.0 m -46.36 -12.56 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.158 -0.964 . . . . 0.0 110.797 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' B' ' 35' ' ' LEU . 6.4 mt-10 -101.22 -36.74 8.81 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -58.4 8.69 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.349 -0.845 . . . . 0.0 109.031 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.31 -34.36 77.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.001 . . . . 0.0 109.779 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' B' ' 20' ' ' ARG . 65.9 tt0 -78.52 -34.65 47.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.966 . . . . 0.0 110.049 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 31' ' ' GLU . 54.6 tp -71.29 -32.72 68.99 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 108.967 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -75.02 -36.35 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' ND2' ' B' ' 37' ' ' ASN . 2.7 m120 -82.18 -23.26 35.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.274 -0.891 . . . . 0.0 110.755 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.68 -44.22 7.21 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.088 -1.008 . . . . 0.0 111.779 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' B' ' 41' ' ' SER . 25.5 mm-40 -103.52 -63.92 1.14 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.903 -1.123 . . . . 0.0 110.429 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 44' ' ' LEU . 0.6 OUTLIER -76.88 37.16 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.53 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -91.98 -21.68 20.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.8 -1.188 . . . . 0.0 109.537 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -91.37 -22.62 20.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 108.95 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.09 -49.66 3.7 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.2 mp -102.79 130.08 49.66 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.76 141.54 16.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.118 -0.989 . . . . 0.0 108.96 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.61 104.46 2.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 138.89 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.941 -1.099 . . . . 0.0 109.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -104.96 -17.71 14.43 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.54 139.1 51.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' B' ' 53' ' ' VAL . 2.6 pt20 -76.21 -18.82 58.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.883 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 50' ' ' GLN . 68.2 tt0 -42.13 -40.38 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.14 -0.975 . . . . 0.0 111.221 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 m -75.52 -36.98 36.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 120.674 -1.266 . . . . 0.0 108.004 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -68.5 -23.71 28.44 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' B' ' 50' ' ' GLN . 6.5 m-20 -76.21 -33.03 59.26 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.48 17.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -40.15 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.708 -1.245 . . . . 0.0 108.385 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.423 ' O ' ' N ' ' B' ' 61' ' ' ASP . 14.8 mtt -64.4 -36.31 83.73 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.458 -0.776 . . . . 0.0 109.218 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.86 -29.37 70.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -0.905 . . . . 0.0 108.925 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 57.6 m -87.82 -31.31 19.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.513 -0.742 . . . . 0.0 109.706 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.2 -44.66 7.52 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.057 -1.027 . . . . 0.0 110.732 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 1.4 m-20 -55.43 111.53 0.9 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.496 -1.377 . . . . 0.0 110.216 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -84.02 -42.58 16.03 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 11.8 p30 -83.11 -1.93 54.11 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.84 43.49 94.7 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 107.578 -2.209 . . . . 0.0 107.578 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 39.5 p-10 -95.3 -4.85 44.83 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.68 -0.894 . . . . 0.0 109.924 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.412 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 71.9 5.72 62.06 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.41 163.32 26.08 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 3.3 m -127.26 98.65 5.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.366 -0.834 . . . . 0.0 111.254 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CE1' ' B' ' 70' ' ' PHE . 18.9 t0 -53.8 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -77.2 -36.81 54.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.256 -1.528 . . . . 0.0 110.941 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -73.16 -28.94 62.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.901 -1.124 . . . . 0.0 109.572 -178.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -89.66 -43.02 11.02 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.88 -42.72 62.9 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.177 -0.952 . . . . 0.0 108.868 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -43.85 98.01 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.73 -19.34 2.36 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.487 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -74.83 -55.37 5.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.94 -1.1 . . . . 0.0 108.333 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.448 ' O ' ' OG1' ' B' ' 81' ' ' THR . 51.1 t -55.57 -32.18 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' B' ' 82' ' ' THR . 12.3 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.75 -32.07 57.52 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.763 -0.586 . . . . 0.0 109.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -33.39 7.13 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 30.5 m -67.95 -38.93 83.42 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' B' ' 78' ' ' SER . 7.5 p -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.919 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.13 91.73 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.817 -1.177 . . . . 0.0 108.366 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 t -63.21 -24.82 68.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.655 -0.818 . . . . 0.0 108.944 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.499 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 65.3 t60 -96.27 -32.94 12.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 82' ' ' THR . 39.3 tt0 -78.96 -43.68 24.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.64 -40.33 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.371 -0.831 . . . . 0.0 109.098 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.819 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 17.2 mp0 . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -21.87 61.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -75.85 -33.86 60.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.929 -1.107 . . . . 0.0 109.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -70.02 -45.3 67.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.32 29.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 110.105 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt -50.33 -39.96 47.54 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 109.655 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -72.95 -42.91 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.332 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.06 76.16 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.917 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 9.8 mp -80.21 -47.96 13.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.928 -1.107 . . . . 0.0 110.778 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.4 mt -44.79 -28.56 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.873 -1.142 . . . . 0.0 109.616 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.81 -51.25 9.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.961 . . . . 0.0 109.29 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 t -74.19 -26.21 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.9 t80 -71.69 -45.4 62.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.512 -0.743 . . . . 0.0 109.835 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.03 -35.02 50.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.891 -1.131 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.89 -40.45 83.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.103 -0.998 . . . . 0.0 110.616 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -87.63 -57.18 3.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.879 -1.138 . . . . 0.0 109.241 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.503 ' HG ' ' C ' ' A' ' 25' ' ' HIS . 4.5 t -53.36 -21.55 5.97 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.779 -1.2 . . . . 0.0 107.817 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.09 1.35 54.79 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.87 -42.48 89.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.8 -1.412 . . . . 0.0 108.338 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -150.86 170.23 19.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 -163.73 26.83 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -51.06 -69.54 0.11 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -1.224 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -171.92 -8.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 0.0 109.308 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.503 ' C ' ' HG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -163.45 68.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.0 109.697 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' N ' ' OG ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -135.81 141.41 44.72 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.238 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.7 tt -92.49 119.47 32.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.379 -1.451 . . . . 0.0 110.311 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' LYS . 63.2 mttm -108.71 151.39 26.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 31' ' ' GLU . 24.9 ttpt -43.39 -50.7 6.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.129 -0.982 . . . . 0.0 109.937 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.36 -12.58 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 109.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 29' ' ' LYS . 58.5 mt-10 -99.07 -38.99 8.73 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -61.52 2.2 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.677 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.54 -35.44 74.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.752 -1.217 . . . . 0.0 110.09 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.62 -33.42 58.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.961 -1.087 . . . . 0.0 109.439 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' GLU . 45.4 tp -73.82 -32.26 63.63 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 mm -65.95 -42.24 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.422 -0.798 . . . . 0.0 109.344 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.79 -22.19 40.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.643 -0.66 . . . . 0.0 112.125 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.58 -23.29 17.71 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.502 -1.374 . . . . 0.0 112.787 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -130.57 -50.32 1.07 Allowed 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.839 -1.163 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 28.13 0.55 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -81.63 -17.14 49.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.823 -1.173 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -98.12 -16.47 19.53 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.993 -1.067 . . . . 0.0 109.562 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.18 -33.53 6.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.586 -0.696 . . . . 0.0 109.422 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 132.72 49.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' ILE . 25.3 mp0 -49.78 135.58 19.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.81 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.739 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 45' ' ' GLU . 19.0 mt -69.55 123.74 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -120.14 -15.11 8.76 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -105.85 139.4 40.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -79.71 -23.42 42.38 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.14 -38.5 5.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 111.03 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.99 -38.45 43.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -63.48 -24.88 37.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -77.98 -35.77 49.77 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -50.38 13.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.464 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.4 p -53.18 -41.04 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.601 -1.312 . . . . 0.0 108.007 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 13.3 mmm -64.85 -33.84 76.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.682 -0.637 . . . . 0.0 109.556 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -64.32 -36.55 84.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.092 -1.005 . . . . 0.0 109.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -80.45 -31.18 37.49 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.356 -0.84 . . . . 0.0 109.539 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.31 -43.59 9.7 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.216 -0.928 . . . . 0.0 111.045 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.04 111.66 0.89 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.364 -1.46 . . . . 0.0 110.019 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 62' ' ' GLU . 2.3 tm-20 -86.82 -43.09 12.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 2.9 p30 -82.97 -1.64 53.01 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.74 42.83 91.75 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 107.441 -2.264 . . . . 0.0 107.441 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 42.6 p-10 -92.97 -5.17 51.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.886 . . . . 0.0 109.809 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.42 0.78 48.83 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 90.7 mt-10 -127.56 163.19 24.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.499 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 91.3 m -127.4 101.5 6.48 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.351 -0.843 . . . . 0.0 111.865 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 8.1 t70 -55.84 -169.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -78.72 -32.81 46.98 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.048 -1.033 . . . . 0.0 110.928 -179.205 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -69.33 -38.65 78.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.13 -0.981 . . . . 0.0 110.238 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 15.4 tt0 -88.36 -39.1 14.59 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.198 -0.939 . . . . 0.0 109.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.2 t80 -53.75 -42.52 68.29 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.932 -1.105 . . . . 0.0 109.143 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -63.37 -41.9 98.84 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.71 3.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.145 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.37 -48.45 41.6 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 118.888 -1.125 . . . . 0.0 108.29 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -55.89 -35.92 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -65.39 -33.86 76.96 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.936 0.874 . . . . 0.0 108.991 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.48 -27.97 61.68 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.04 -35.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -66.97 -38.41 86.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 85' ' ' HIS . 16.2 p -62.5 -43.53 98.59 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.178 -0.951 . . . . 0.0 110.173 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.92 -35.35 58.25 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.311 -1.493 . . . . 0.0 108.294 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.68 -13.89 62.25 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.461 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 82' ' ' THR . 9.1 t-160 -98.27 -37.55 9.62 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.43 -0.794 . . . . 0.0 109.533 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -75.0 -45.24 43.29 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.919 -1.113 . . . . 0.0 108.823 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.41 -51.4 35.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.575 -0.703 . . . . 0.0 109.512 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.6 t80 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.705 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 17.7 mp0 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.498 0.666 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -21.98 61.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 110.054 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -75.8 -33.81 60.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.944 -1.098 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -70.09 -45.24 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 0.0 109.257 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.37 29.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.8 mtt -50.47 -39.81 49.1 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.316 -0.865 . . . . 0.0 109.625 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 37.9 t -73.07 -42.93 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.071 -1.018 . . . . 0.0 109.409 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.08 75.96 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.54 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 9.8 mp -80.25 -48.01 13.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.806 -1.184 . . . . 0.0 110.693 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.5 mt -44.73 -28.43 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.771 -1.206 . . . . 0.0 109.682 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.08 -51.15 9.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.15 -26.21 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 109.115 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.9 t80 -71.66 -45.33 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.07 -35.32 49.66 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.989 -1.069 . . . . 0.0 110.341 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.58 -40.65 84.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.586 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -87.44 -57.32 2.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.756 -1.215 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.502 ' HG ' ' C ' ' B' ' 26' ' ' LYS . 4.3 t -53.35 -21.37 5.65 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.78 -1.2 . . . . 0.0 107.836 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.19 1.29 54.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.92 -42.43 89.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.742 -1.446 . . . . 0.0 108.368 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -150.64 170.45 19.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.603 -0.685 . . . . 0.0 109.205 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.04 -163.82 26.99 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -51.09 -69.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 109.279 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -171.93 -8.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.264 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.45 68.14 0.19 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.241 -0.912 . . . . 0.0 109.63 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.502 ' C ' ' HG ' ' B' ' 18' ' ' SER . 0.5 OUTLIER -135.79 141.36 44.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 6.7 tt -92.61 119.44 32.05 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.395 -1.441 . . . . 0.0 110.276 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -108.66 151.32 26.32 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' B' ' 31' ' ' GLU . 24.0 ttpt -43.56 -50.43 7.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.189 -0.944 . . . . 0.0 109.908 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.55 -12.58 0.1 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.196 -0.94 . . . . 0.0 109.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' B' ' 29' ' ' LYS . 58.9 mt-10 -99.04 -38.86 8.79 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.41 -61.3 2.31 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.707 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -59.74 -35.3 74.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.722 -1.236 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.75 -33.3 58.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.87 -1.144 . . . . 0.0 109.44 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 45.6 tp -73.85 -32.5 63.69 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' B' ' 32' ' ' LEU . 1.2 mm -65.71 -42.21 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.451 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.8 -22.28 40.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.608 -0.682 . . . . 0.0 112.152 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.57 -23.34 17.7 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.471 -1.393 . . . . 0.0 112.828 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.49 -50.31 1.07 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.905 -1.122 . . . . 0.0 110.039 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 28.1 0.56 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -81.58 -17.24 49.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.848 -1.158 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -98.11 -16.45 19.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.94 -1.1 . . . . 0.0 109.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.22 -33.43 6.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 0.0 109.47 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.98 132.79 49.89 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' B' ' 47' ' ' ILE . 25.0 mp0 -49.82 135.75 19.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.078 -1.013 . . . . 0.0 109.218 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.92 90.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.42 -0.8 . . . . 0.0 109.743 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' B' ' 45' ' ' GLU . 18.8 mt -69.64 123.71 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.124 -0.985 . . . . 0.0 108.497 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -120.09 -15.13 8.78 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.93 139.13 40.95 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -79.39 -23.62 43.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.0 -38.62 4.9 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 111.039 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.95 -38.37 43.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.605 -1.309 . . . . 0.0 107.508 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -63.62 -24.85 36.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.86 -35.88 50.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.46 13.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.373 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -53.19 -41.09 41.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.724 -1.235 . . . . 0.0 107.975 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' B' ' 53' ' ' VAL . 13.9 mmm -64.94 -33.76 76.79 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.596 -0.69 . . . . 0.0 109.643 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.35 -36.5 84.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.168 -0.957 . . . . 0.0 109.099 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.1 m -80.52 -30.98 37.18 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.606 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.35 -43.69 9.61 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.144 -0.973 . . . . 0.0 110.894 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.0 111.6 0.87 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.407 -1.433 . . . . 0.0 110.08 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' B' ' 62' ' ' GLU . 2.2 tm-20 -86.92 -42.98 12.75 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.03 -1.53 52.91 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.79 42.59 91.78 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 107.435 -2.266 . . . . 0.0 107.435 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.8 p-10 -92.93 -5.24 51.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.661 -0.906 . . . . 0.0 109.894 -178.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.8 0.43 49.92 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 90.2 mt-10 -127.63 163.22 24.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 88.8 m -127.46 101.43 6.43 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.851 . . . . 0.0 111.829 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 8.1 t70 -55.85 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -78.5 -32.93 48.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.981 -1.074 . . . . 0.0 111.005 -179.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.32 -38.55 78.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.287 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.494 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 15.5 tt0 -88.43 -39.18 14.45 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.189 -0.944 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.567 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.3 t80 -53.7 -42.68 68.28 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.918 -1.114 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -63.19 -41.94 99.27 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 178.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.74 -24.93 3.78 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.15 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.37 -48.33 42.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.885 -1.134 . . . . 0.0 108.286 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.87 -35.73 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 70' ' ' PHE . 7.2 t -65.63 -33.72 76.56 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.873 0.844 . . . . 0.0 109.011 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.56 -27.85 61.54 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -87.01 -35.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.5 m -66.97 -38.4 86.0 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.526 ' O ' ' N ' ' B' ' 85' ' ' HIS . 16.2 p -62.59 -43.4 98.89 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.174 -0.954 . . . . 0.0 110.174 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.59 57.03 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.356 -1.465 . . . . 0.0 108.239 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.57 -13.9 62.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.522 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' B' ' 82' ' ' THR . 9.0 t-160 -98.24 -37.69 9.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.447 -0.783 . . . . 0.0 109.489 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -74.93 -45.12 44.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.895 -1.128 . . . . 0.0 108.872 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.45 -51.49 35.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.642 -0.661 . . . . 0.0 109.516 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.624 -179.791 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.75 -27.32 40.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.055 -1.028 . . . . 0.0 109.196 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -75.01 -29.26 60.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.859 -1.15 . . . . 0.0 108.913 179.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -69.42 -46.49 66.68 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -54.75 35.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.473 -0.767 . . . . 0.0 110.438 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 7.3 mtm -52.96 -37.73 61.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -75.82 -42.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.958 -1.089 . . . . 0.0 108.91 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.21 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.253 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.3 mp -80.26 -48.84 12.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.715 -1.241 . . . . 0.0 110.867 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.32 -28.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.847 -1.158 . . . . 0.0 109.536 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.28 -51.66 9.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 109.566 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -76.11 -27.05 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.067 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 25' ' ' HIS . 3.1 t80 -73.22 -43.08 61.86 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.126 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -78.04 -29.79 49.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.928 -1.108 . . . . 0.0 110.857 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -67.15 -34.33 77.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.905 -1.122 . . . . 0.0 110.282 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 29.5 m-85 -90.67 -56.58 3.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 108.802 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 3.3 t -53.37 -21.73 6.31 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.135 -0.978 . . . . 0.0 108.527 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.73 -1.9 56.32 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -60.84 -43.49 98.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.928 -1.337 . . . . 0.0 109.197 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' C ' ' HZ3' ' A' ' 28' ' ' LYS . 4.8 pt-20 -164.25 173.86 11.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -162.19 25.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.76 -82.75 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.252 -1.146 . . . . 0.0 109.521 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -171.31 -9.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.294 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' CE1' ' CE1' ' B' ' 85' ' ' HIS . 1.9 t60 -160.24 53.23 0.33 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.628 -1.295 . . . . 0.0 110.723 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' N ' ' OG ' ' A' ' 18' ' ' SER . 1.5 tppp? -136.78 147.94 46.93 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 1.8 tt -87.05 125.81 34.35 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.893 -1.129 . . . . 0.0 109.822 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HZ3' ' C ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -102.99 146.7 27.94 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 31' ' ' GLU . 44.9 mtmt -47.17 -46.9 24.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.372 -1.455 . . . . 0.0 109.107 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -49.33 -14.03 0.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.102 -0.999 . . . . 0.0 108.977 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' LEU . 88.6 mt-10 -101.93 -36.6 8.57 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -47.69 70.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.82 -1.175 . . . . 0.0 108.922 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -69.81 -37.5 76.27 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.39 -33.74 48.6 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.228 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 31' ' ' GLU . 15.3 tp -71.76 -32.62 67.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 36' ' ' ILE . 59.5 mt -74.29 -37.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.476 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.84 -23.72 33.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.261 -0.899 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 1.7 m-20 -97.97 -44.33 6.71 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.913 -1.117 . . . . 0.0 111.817 -177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 41' ' ' SER . 56.8 mm-40 -100.19 -70.19 0.74 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.019 -1.05 . . . . 0.0 109.918 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.37 39.33 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 108.774 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.6 t -86.75 -22.1 26.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.518 -1.364 . . . . 0.0 110.216 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -94.64 -17.49 22.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 0.0 110.235 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -109.88 -44.57 3.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.37 133.45 42.75 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.143 -0.973 . . . . 0.0 109.019 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.28 135.14 33.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.62 103.85 0.73 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.92 139.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.96 -1.087 . . . . 0.0 108.918 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -119.01 -11.08 9.71 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.26 119.06 34.54 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.621 ' NE2' ' H ' ' A' ' 51' ' ' GLU . 1.7 pm0 -58.08 -21.37 45.64 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.425 -0.797 . . . . 0.0 110.265 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.621 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 39.8 tt0 -42.12 -43.44 3.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.121 -0.987 . . . . 0.0 111.685 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.9 m -77.45 -38.26 26.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.59 -1.319 . . . . 0.0 107.953 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -24.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLN . 18.8 m-20 -76.98 -31.77 56.77 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.2 tmmt? -79.23 -53.22 7.17 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -50.1 -42.55 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 108.696 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.503 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 mmt -60.82 -30.64 70.2 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' LYS . 21.6 tt0 -67.34 -27.76 67.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.36 -0.837 . . . . 0.0 108.878 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.9 m -91.44 -32.02 15.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.448 -0.783 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.41 -45.22 6.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.11 -0.994 . . . . 0.0 111.022 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 37.4 t0 -54.92 109.38 0.51 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.209 -1.557 . . . . 0.0 109.245 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -90.67 -36.11 14.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.24 -4.54 58.52 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.05 44.27 88.26 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 13.4 p30 -102.34 -5.01 24.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.792 -0.828 . . . . 0.0 110.306 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.87 6.93 88.58 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.01 152.96 50.83 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.7 m -113.9 98.81 7.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.223 -0.923 . . . . 0.0 110.513 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.75 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 78' ' ' SER . 1.3 p90 -76.01 -31.29 58.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 111.058 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.99 -44.6 79.99 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 111.12 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -90.09 -31.73 17.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.479 -1.388 . . . . 0.0 109.455 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 8.8 t80 -54.29 -41.39 68.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.512 -1.368 . . . . 0.0 108.873 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -42.31 87.46 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.44 -21.76 4.02 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.445 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.27 -53.17 11.52 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.79 -33.18 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.46 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.9 t -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.783 0.802 . . . . 0.0 108.958 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.22 -32.25 64.65 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.496 -0.752 . . . . 0.0 109.834 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER -86.7 -32.65 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.492 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.9 m -68.49 -36.51 79.02 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 78' ' ' SER . 11.7 p -63.7 -40.24 96.29 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.438 -0.788 . . . . 0.0 110.256 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.7 74.0 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.661 -1.274 . . . . 0.0 107.898 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 80' ' ' VAL . 14.5 m -70.36 -18.95 63.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' B' ' 25' ' ' HIS . 2.7 t-80 -92.72 -35.18 13.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.93 -37.65 61.96 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.337 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.54 -57.18 13.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 109.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.86 -27.31 44.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -74.95 -29.36 60.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.888 -1.133 . . . . 0.0 108.914 179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -69.35 -46.31 67.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -54.11 42.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.428 -0.795 . . . . 0.0 110.482 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.5 mtm -53.1 -37.7 61.94 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -75.71 -41.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.962 -1.086 . . . . 0.0 108.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.14 75.9 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.107 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.7 mp -80.1 -49.01 12.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.725 -1.234 . . . . 0.0 110.93 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.3 mt -46.03 -28.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.765 -1.21 . . . . 0.0 109.733 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.38 -51.59 9.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.112 -0.993 . . . . 0.0 109.457 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t -76.15 -26.95 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.188 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' B' ' 25' ' ' HIS . 3.0 t80 -73.39 -42.91 61.55 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.098 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -78.09 -29.93 49.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.949 -1.094 . . . . 0.0 110.855 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -67.08 -34.24 77.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.034 -1.041 . . . . 0.0 110.305 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.5 m-85 -90.78 -56.72 3.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.03 -1.044 . . . . 0.0 108.817 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 3.3 t -53.28 -21.59 5.71 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 108.418 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.82 -1.96 56.23 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -60.79 -43.66 97.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.817 -1.402 . . . . 0.0 109.194 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 4.9 pt-20 -164.11 173.79 12.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.352 -0.842 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.67 -162.35 25.4 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.44 -82.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.357 -1.084 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -171.33 -9.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.402 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CD2' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t60 -160.18 53.33 0.33 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.677 -1.264 . . . . 0.0 110.771 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.506 ' N ' ' OG ' ' B' ' 18' ' ' SER . 1.6 tppp? -137.02 147.89 46.51 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 1.8 tt -87.0 125.77 34.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.864 -1.147 . . . . 0.0 109.804 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.554 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -102.94 146.76 27.83 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' B' ' 31' ' ' GLU . 45.2 mtmt -47.23 -46.82 24.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.357 -1.464 . . . . 0.0 109.15 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -49.35 -13.95 0.09 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.14 -0.975 . . . . 0.0 109.081 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' B' ' 29' ' ' LYS . 88.7 mt-10 -101.9 -36.61 8.58 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -47.76 70.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.852 -1.155 . . . . 0.0 108.948 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -69.69 -37.75 76.73 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.17 -33.67 50.07 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.242 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 31' ' ' GLU . 15.4 tp -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.992 -1.067 . . . . 0.0 108.32 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.421 HD13 HG23 ' B' ' 36' ' ' ILE . 57.0 mt -74.45 -36.99 43.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.428 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.91 -23.73 33.42 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.904 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 1.7 m-20 -97.88 -44.37 6.72 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.139 -0.976 . . . . 0.0 111.762 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' B' ' 41' ' ' SER . 56.6 mm-40 -100.09 -70.33 0.74 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.954 -1.091 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.39 39.33 0.08 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 108.83 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.6 t -86.69 -22.06 26.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.575 -1.328 . . . . 0.0 110.1 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -94.81 -17.58 21.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -109.82 -44.47 3.82 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.309 -0.869 . . . . 0.0 109.355 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.49 133.36 42.97 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 109.088 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.2 135.07 32.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.476 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.5 103.65 0.69 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.93 139.6 19.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 120.89 -1.131 . . . . 0.0 108.934 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -119.09 -10.97 9.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.16 118.79 33.81 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.608 ' NE2' ' H ' ' B' ' 51' ' ' GLU . 1.7 pm0 -57.84 -21.34 42.0 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.526 -0.734 . . . . 0.0 110.252 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.608 ' H ' ' NE2' ' B' ' 50' ' ' GLN . 39.9 tt0 -42.19 -43.36 3.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.078 -1.014 . . . . 0.0 111.748 -178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.61 -37.91 25.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.622 -1.298 . . . . 0.0 107.932 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -23.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' B' ' 50' ' ' GLN . 18.5 m-20 -77.07 -31.68 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 58' ' ' GLU . 1.2 tmmt? -79.29 -53.17 7.21 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -50.18 -42.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.857 -1.152 . . . . 0.0 108.699 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.506 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 mmt -61.1 -30.55 70.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 55' ' ' LYS . 21.9 tt0 -67.46 -27.8 67.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 108.765 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.0 m -91.34 -31.95 15.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.53 -0.731 . . . . 0.0 109.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.48 -45.35 6.46 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.226 -0.921 . . . . 0.0 111.019 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 37.4 t0 -54.91 109.57 0.54 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.246 -1.534 . . . . 0.0 109.112 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -90.77 -36.14 14.45 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.14 -4.62 58.56 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.0 44.34 87.99 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 13.5 p30 -102.47 -4.82 24.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.782 -0.834 . . . . 0.0 110.366 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.82 6.77 88.53 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -131.83 152.88 50.7 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.506 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 52.5 m -113.69 98.69 7.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.375 -0.828 . . . . 0.0 110.627 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.356 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.451 ' O ' ' OG ' ' A' ' 78' ' ' SER . 1.3 p90 -76.0 -31.36 58.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.812 -1.18 . . . . 0.0 110.902 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.84 -44.46 80.98 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 111.172 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.39 -31.61 16.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.475 -1.391 . . . . 0.0 109.482 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 8.9 t80 -54.32 -41.86 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.591 -1.318 . . . . 0.0 108.839 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.95 89.52 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.86 -21.64 4.5 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.476 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -73.25 -53.22 11.43 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.57 -33.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 108.401 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' B' ' 82' ' ' THR . 1.8 t -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.855 0.836 . . . . 0.0 108.985 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.06 -32.42 65.02 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.544 -0.723 . . . . 0.0 109.936 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.55 -32.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.494 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 45.3 m -68.44 -36.61 79.28 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' B' ' 78' ' ' SER . 11.1 p -63.46 -40.43 97.1 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.357 -0.839 . . . . 0.0 110.213 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.77 74.14 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.715 -1.241 . . . . 0.0 107.931 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 m -70.26 -19.2 63.13 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.645 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 2.6 t-80 -92.5 -35.07 13.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.458 -0.777 . . . . 0.0 109.366 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.97 -37.52 61.89 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.927 -1.109 . . . . 0.0 109.439 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.78 -57.04 14.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.428 -0.795 . . . . 0.0 109.166 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.525 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.31 -22.77 61.89 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.61 -27.99 37.16 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -50.36 60.21 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.18 0.514 . . . . 0.0 110.195 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.1 mtt -49.37 -41.51 39.39 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.161 -0.962 . . . . 0.0 109.454 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.73 -42.04 62.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.572 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.2 79.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.219 -0.925 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.3 mp -78.82 -44.88 22.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.819 -1.176 . . . . 0.0 110.123 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -46.3 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.98 -1.075 . . . . 0.0 109.342 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.54 -50.95 69.31 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.7 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.416 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.2 m-85 -71.89 -43.15 65.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.089 -1.007 . . . . 0.0 109.855 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 2.2 t-160 -76.85 -37.62 55.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.967 . . . . 0.0 110.582 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.8 -38.73 83.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.87 -1.144 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -87.72 -58.94 2.39 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.031 -1.043 . . . . 0.0 110.298 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -57.62 -25.01 59.5 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 108.657 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.25 3.2 58.06 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -64.06 -42.87 96.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.925 -1.338 . . . . 0.0 108.957 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.13 155.32 32.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.473 -0.767 . . . . 0.0 109.27 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.15 16.37 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.14 -80.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.305 -1.115 . . . . 0.0 109.376 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.7 tmtt? -179.06 -7.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.986 -1.071 . . . . 0.0 109.259 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.1 m-70 -152.99 46.84 0.7 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 110.553 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 11.0 ttmm -133.8 146.27 50.53 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.2 tt -87.05 126.69 34.92 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 110.235 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mttp -108.39 149.17 29.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 31' ' ' GLU . 25.7 mttp -43.53 -48.38 7.44 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.998 -1.064 . . . . 0.0 109.6 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -48.45 -12.09 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 48.3 mt-10 -99.57 -42.82 6.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.261 -0.899 . . . . 0.0 109.378 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -51.67 65.63 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.221 -0.924 . . . . 0.0 108.996 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -66.0 -37.78 86.8 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.218 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -77.93 -33.73 51.6 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.58 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 49.6 tp -74.01 -33.06 63.65 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.306 -0.871 . . . . 0.0 108.825 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 36' ' ' ILE . 33.4 mt -67.07 -37.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 2.5 t-20 -78.45 -22.25 47.9 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.722 -0.612 . . . . 0.0 111.443 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -94.03 -43.42 8.53 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.676 -1.265 . . . . 0.0 113.382 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 41' ' ' SER . 85.7 mt-10 -120.53 -51.12 2.18 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.796 -1.19 . . . . 0.0 110.354 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 21.22 0.44 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.58 -17.65 53.44 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -23.76 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.36 -55.33 2.49 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 131.1 36.9 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.47 150.39 22.73 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.997 -1.064 . . . . 0.0 108.745 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.66 99.32 0.78 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.103 -0.998 . . . . 0.0 108.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.67 140.75 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.135 -0.978 . . . . 0.0 109.487 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -106.57 -15.12 14.86 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -122.41 136.23 54.85 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -70.47 -17.06 62.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.671 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -47.18 -36.3 8.53 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.979 -1.075 . . . . 0.0 111.048 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.76 -37.7 24.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.622 -1.299 . . . . 0.0 107.531 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -65.13 -23.92 34.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 178.502 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -77.83 -35.68 50.98 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -52.97 10.76 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.9 p -54.03 -40.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.769 -1.207 . . . . 0.0 108.012 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.535 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 10.7 mmm -65.49 -31.21 72.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.21 -38.72 92.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.0 109.068 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.3 m -79.1 -30.84 44.05 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.451 -0.78 . . . . 0.0 109.484 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.08 -43.17 10.07 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.182 -0.949 . . . . 0.0 110.844 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' MET . 7.3 m-20 -56.03 108.46 0.46 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.492 -1.38 . . . . 0.0 110.68 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -86.56 -43.15 12.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 31.4 p-10 -79.41 -2.05 40.01 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 43.67 84.7 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 107.767 -2.133 . . . . 0.0 107.767 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 30.6 p-10 -95.78 -5.42 41.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.629 -0.924 . . . . 0.0 109.983 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.6 -1.38 37.26 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 107.942 -2.063 . . . . 0.0 107.942 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 42.3 mt-10 -122.72 160.3 26.18 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.535 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 57.3 m -126.18 96.61 4.78 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.294 -0.879 . . . . 0.0 110.955 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -52.33 -170.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.4 OUTLIER -77.99 -31.75 50.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.393 -1.442 . . . . 0.0 112.038 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' NE2' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.67 -32.84 60.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.633 -1.292 . . . . 0.0 109.486 -178.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 27.3 tt0 -86.54 -40.51 15.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 108.539 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.1 t80 -54.97 -39.96 69.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.198 -0.939 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 1.1 ttt -62.52 -44.33 96.63 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.65 -22.23 1.95 Allowed 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.587 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.4 -48.69 21.76 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.033 -1.042 . . . . 0.0 108.243 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.4 t -57.61 -38.44 64.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.16 -0.963 . . . . 0.0 109.226 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.51 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -67.75 -31.46 71.38 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.059 -1.026 . . . . 0.0 109.481 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.72 -25.45 62.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.35 -36.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.63 -35.11 70.32 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 179.378 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.7 p -63.55 -39.33 94.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 110.314 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.26 84.67 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.685 -1.259 . . . . 0.0 108.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.1 t -61.4 -15.09 33.3 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.562 -0.855 . . . . 0.0 108.772 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -100.34 -34.96 9.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.494 -0.754 . . . . 0.0 109.251 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.35 -46.59 66.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.648 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.93 -41.73 91.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.237 -0.914 . . . . 0.0 109.155 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 0.0 109.741 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.3 -22.94 61.87 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -80.4 -28.14 37.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -44.34 85.0 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.04 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.182 0.515 . . . . 0.0 110.268 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.3 mtt -49.19 -41.58 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 0.0 109.46 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.86 -42.24 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.481 -0.762 . . . . 0.0 109.451 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.2 79.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.902 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.2 mp -78.76 -44.97 22.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.875 -1.141 . . . . 0.0 110.12 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.81 -46.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.107 -0.996 . . . . 0.0 109.379 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.27 -51.15 68.87 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.305 -0.872 . . . . 0.0 109.96 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.0 110.37 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.2 m-85 -71.8 -43.29 65.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.021 -1.05 . . . . 0.0 109.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.82 -37.49 55.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.1 -1.0 . . . . 0.0 110.5 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -67.74 -38.91 84.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.941 -1.099 . . . . 0.0 110.23 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -87.74 -58.89 2.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.996 -1.065 . . . . 0.0 110.257 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.414 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 11.3 p -57.6 -24.91 58.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.915 -1.116 . . . . 0.0 108.626 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -99.4 3.19 57.85 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -63.89 -42.88 97.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.92 -1.341 . . . . 0.0 108.971 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.14 155.63 32.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.403 -0.81 . . . . 0.0 109.277 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.66 -162.52 16.52 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.98 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -1.074 . . . . 0.0 109.482 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.54 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.9 tmtt? -179.12 -7.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.07 -1.019 . . . . 0.0 109.316 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.6 m-70 -153.2 46.88 0.68 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.93 -1.106 . . . . 0.0 110.507 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.465 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 10.8 ttmm -133.74 146.37 50.7 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.535 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 7.2 tt -87.09 126.65 34.9 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.29 -0.882 . . . . 0.0 110.139 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.444 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 28.3 mttp -108.25 149.32 28.76 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 31' ' ' GLU . 26.8 mttp -43.93 -48.2 8.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.864 -1.148 . . . . 0.0 109.641 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -48.49 -12.06 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.359 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 35' ' ' LEU . 47.9 mt-10 -99.55 -42.84 6.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.247 -0.908 . . . . 0.0 109.377 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -51.27 66.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 108.991 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.137 -0.977 . . . . 0.0 109.19 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -77.84 -33.74 52.18 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.528 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 31' ' ' GLU . 49.9 tp -74.04 -32.96 63.55 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.341 -0.849 . . . . 0.0 108.803 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.12 -37.66 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 2.5 t-20 -78.38 -22.2 48.23 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 111.242 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -94.0 -43.68 8.42 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.571 -1.33 . . . . 0.0 113.295 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 41' ' ' SER . 85.3 mt-10 -120.49 -50.98 2.19 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.695 -1.253 . . . . 0.0 110.304 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.01 21.13 0.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -79.56 -17.64 53.51 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -23.94 21.86 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -102.2 -54.99 2.57 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.48 131.1 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.56 150.2 23.56 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.075 -1.016 . . . . 0.0 108.755 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.25 99.2 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.975 -1.078 . . . . 0.0 108.976 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.74 140.66 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -106.5 -15.12 14.88 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -122.35 136.16 54.85 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.46 -17.07 62.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.114 -0.991 . . . . 0.0 109.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -47.35 -36.08 9.02 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.911 -1.118 . . . . 0.0 111.028 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.84 -37.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -65.04 -23.91 34.38 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.449 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -77.89 -35.63 50.55 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -52.76 11.36 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.6 p -54.16 -40.19 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.881 -1.137 . . . . 0.0 107.932 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.52 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 11.5 mmm -65.53 -31.15 72.06 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.29 -38.45 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.176 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -79.35 -30.53 42.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.38 -0.825 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.25 -43.27 9.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.231 -0.918 . . . . 0.0 110.864 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' B' ' 57' ' ' MET . 7.2 m-20 -56.02 108.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.478 -1.389 . . . . 0.0 110.606 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -86.4 -43.08 13.12 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.1 p-10 -79.38 -2.16 40.42 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.38 43.61 84.88 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 p-10 -95.8 -5.4 41.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.708 -0.877 . . . . 0.0 110.095 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.37 -1.28 36.1 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' B' ' 65' ' ' ASP . 41.9 mt-10 -122.67 160.06 26.61 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.52 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 56.0 m -126.05 96.49 4.75 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.239 -0.913 . . . . 0.0 111.04 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -52.28 -170.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.407 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.3 OUTLIER -77.95 -31.54 50.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.452 -1.405 . . . . 0.0 112.002 -178.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.481 ' C ' ' NE2' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -75.91 -32.57 59.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.534 -1.354 . . . . 0.0 109.648 -178.453 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.442 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 27.6 tt0 -86.69 -40.56 14.96 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.608 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.535 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.2 t80 -55.02 -40.0 69.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.861 . . . . 0.0 109.223 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.51 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -62.34 -44.51 96.32 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -22.5 1.85 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.585 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -75.41 -48.67 21.77 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.042 -1.036 . . . . 0.0 108.333 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' B' ' 81' ' ' THR . 21.7 t -57.64 -38.31 63.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.245 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.507 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -67.97 -31.29 70.91 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.153 -0.967 . . . . 0.0 109.517 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.7 -25.53 62.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.18 -36.43 10.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.78 -34.99 69.89 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -63.69 -39.32 94.03 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.388 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.34 84.44 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.75 -1.219 . . . . 0.0 108.669 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.28 -15.27 33.51 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.532 -0.867 . . . . 0.0 108.733 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.411 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 3.4 t-160 -100.08 -35.0 9.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 109.207 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.45 -46.36 66.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.997 -1.065 . . . . 0.0 109.629 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -41.6 90.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 109.218 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.723 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.01 -27.12 48.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.131 -0.981 . . . . 0.0 109.836 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 2.2 tm-20 -74.1 -30.72 62.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.594 -1.316 . . . . 0.0 109.021 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -71.09 -47.12 60.01 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.99 -53.64 56.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.55 -0.719 . . . . 0.0 110.115 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.435 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 5.9 mtt -55.48 -38.74 69.52 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.1 -1.0 . . . . 0.0 109.135 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.44 -53.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.028 -1.045 . . . . 0.0 108.657 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.58 -37.73 41.49 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.736 -0.602 . . . . 0.0 110.385 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 14' ' ' PHE . 9.7 mp -79.33 -45.32 19.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.778 -1.201 . . . . 0.0 110.61 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.39 -35.48 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.609 -1.307 . . . . 0.0 109.918 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.85 -50.77 12.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.671 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -73.76 -25.7 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.231 -0.918 . . . . 0.0 109.376 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 t80 -66.69 -45.86 77.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.616 -0.677 . . . . 0.0 110.133 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.605 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -77.91 -40.25 40.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 0.0 110.304 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.95 -44.31 40.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.079 -1.013 . . . . 0.0 110.656 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.28 -57.73 2.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 9.2 t -48.77 -28.85 3.94 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.084 -1.01 . . . . 0.0 108.834 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.15 2.98 51.19 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.42 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -63.44 -36.39 83.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.213 -1.757 . . . . 0.0 110.683 -179.089 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 20.8 pt-20 -163.0 166.13 24.1 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.465 -1.397 . . . . 0.0 111.389 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 74.67 -136.59 21.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLY . 17.4 m-20 -54.88 -113.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.841 -0.799 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -171.99 -17.83 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.923 -1.11 . . . . 0.0 110.162 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 14' ' ' PHE . 3.8 t60 -133.79 33.3 3.47 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.769 -1.207 . . . . 0.0 111.366 -178.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 18' ' ' SER . 28.0 mtmt -143.25 150.99 40.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.892 -1.13 . . . . 0.0 108.449 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -95.07 138.15 33.17 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.115 0.96 . . . . 0.0 110.077 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.8 mttm -108.15 156.77 18.93 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 31' ' ' GLU . 54.6 mttm -46.79 -47.44 20.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.988 -1.07 . . . . 0.0 109.674 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.92 -11.23 0.15 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.141 -0.975 . . . . 0.0 109.038 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 29' ' ' LYS . 31.5 mt-10 -100.05 -35.88 9.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.387 -0.821 . . . . 0.0 108.959 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -60.75 2.74 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.1 -34.45 72.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.428 -0.795 . . . . 0.0 109.974 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -82.59 -38.73 23.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 110.437 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.5 tp -72.78 -32.11 65.35 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -72.49 -41.05 64.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.597 -0.69 . . . . 0.0 109.345 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.6 m-20 -82.94 -24.75 32.9 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.263 -0.898 . . . . 0.0 111.1 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.33 -43.68 7.57 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.958 -1.089 . . . . 0.0 111.291 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.8 tp10 -98.99 -66.84 0.88 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.988 -1.07 . . . . 0.0 110.328 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.55 39.3 0.21 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 108.826 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -87.34 -17.04 33.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.912 . . . . 0.0 110.041 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.658 ' HD1' ' N ' ' A' ' 43' ' ' PHE . 1.5 p80 -99.85 -27.91 13.38 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.835 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.658 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 2.0 m-85 -98.76 -62.35 1.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.57 137.54 39.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.022 -1.048 . . . . 0.0 108.236 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -49.39 136.72 15.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.018 -1.051 . . . . 0.0 109.877 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.7 103.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.493 -0.754 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.38 128.64 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 108.936 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -114.26 -25.34 8.5 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.712 . . . . 0.0 109.345 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -97.36 157.86 15.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.34 -0.85 . . . . 0.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -95.1 -29.55 14.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.303 -0.873 . . . . 0.0 109.787 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -52.44 -26.81 13.75 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.145 -0.972 . . . . 0.0 110.005 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -76.22 -38.92 34.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -23.71 33.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.07 -35.94 56.23 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLU . 45.4 tttt -73.08 -57.66 3.87 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.24 -44.51 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.39 -38.42 80.49 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' LYS . 6.2 tp10 -64.29 -29.89 70.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 109.512 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.2 m -88.97 -27.75 20.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.4 tp -105.2 -38.19 6.63 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 110.904 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.2 t0 -58.32 101.22 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.446 -1.409 . . . . 0.0 109.707 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.32 -31.01 16.25 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.37 -5.11 59.04 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 43.05 96.64 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.3 p-10 -103.93 -5.7 22.01 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.552 -0.97 . . . . 0.0 110.04 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.22 0.22 35.36 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 65' ' ' ASP . 80.2 mt-10 -127.5 164.86 20.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 69' ' ' ASP . 81.1 m -127.43 97.61 4.95 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.288 -0.883 . . . . 0.0 110.776 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -55.29 -163.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -74.3 -45.0 50.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.23 -1.544 . . . . 0.0 111.278 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -62.75 -29.61 70.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.88 -1.137 . . . . 0.0 110.324 -178.274 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 35.8 tt0 -92.5 -40.78 10.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.65 -1.281 . . . . 0.0 108.83 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -55.26 -42.75 73.94 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.11 -0.994 . . . . 0.0 108.858 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.76 91.8 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.15 -17.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.41 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -75.14 -56.63 4.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.9 -1.125 . . . . 0.0 108.713 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.11 -33.68 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 108.642 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -62.72 -36.45 83.02 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.586 0.708 . . . . 0.0 109.449 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttp -72.72 -25.73 61.32 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.21 -38.03 12.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 88.4 m -67.84 -38.14 82.78 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -65.87 -40.2 91.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.81 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.53 89.54 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.499 -1.375 . . . . 0.0 108.323 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.16 -10.07 37.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.493 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.634 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 3.4 t-160 -101.68 -42.57 6.15 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.55 -38.97 77.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.26 -58.3 9.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.002 . . . . 0.0 109.418 179.747 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -78.55 -27.02 45.79 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.352 -0.843 . . . . 0.0 109.662 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 2.2 tm-20 -74.23 -30.9 62.38 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.703 -1.248 . . . . 0.0 108.955 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.98 -46.9 61.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.502 -0.749 . . . . 0.0 108.994 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.04 62.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 0.0 110.189 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.7 mtt -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.104 -0.997 . . . . 0.0 109.175 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.32 -53.12 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.155 -0.965 . . . . 0.0 108.644 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.09 -37.52 46.25 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.673 -0.642 . . . . 0.0 110.45 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 14' ' ' PHE . 9.7 mp -79.26 -45.33 19.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.673 -1.267 . . . . 0.0 110.535 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.405 HD11 ' HD1' ' A' ' 85' ' ' HIS . 2.9 mm -44.43 -35.43 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.583 -1.323 . . . . 0.0 109.967 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.72 -50.93 12.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.065 -1.022 . . . . 0.0 109.672 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.71 -25.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 109.529 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' CE1' ' B' ' 25' ' ' HIS . 1.9 t80 -66.71 -45.77 77.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.238 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.634 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -77.9 -40.22 40.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.98 -44.34 40.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.168 -0.957 . . . . 0.0 110.691 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.32 -57.62 2.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.113 -0.992 . . . . 0.0 109.455 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 9.3 t -48.84 -28.7 3.92 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.018 -1.051 . . . . 0.0 108.891 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.26 2.83 50.76 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.559 -0.713 . . . . 0.0 111.409 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.467 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -63.46 -36.19 82.93 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.165 -1.785 . . . . 0.0 110.67 -178.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' B' ' 20' ' ' ARG . 20.6 pt-20 -163.11 166.18 23.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.523 -1.36 . . . . 0.0 111.267 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 74.57 -136.84 21.67 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLY . 17.2 m-20 -54.79 -113.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.854 -0.792 . . . . 0.0 110.084 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -172.09 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' CE2' ' B' ' 14' ' ' PHE . 3.6 t60 -133.74 33.29 3.49 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.691 -1.256 . . . . 0.0 111.334 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.529 ' N ' ' OG ' ' B' ' 18' ' ' SER . 28.7 mtmt -143.21 150.77 39.81 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.88 -1.137 . . . . 0.0 108.447 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -95.04 137.94 33.42 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.098 0.951 . . . . 0.0 110.049 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 41.7 mttm -108.18 156.65 19.09 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' B' ' 31' ' ' GLU . 55.3 mttm -46.64 -47.64 20.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.979 -1.076 . . . . 0.0 109.691 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -51.82 -11.16 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.182 -0.949 . . . . 0.0 109.025 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' B' ' 35' ' ' LEU . 32.3 mt-10 -99.96 -35.84 9.59 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.46 -0.775 . . . . 0.0 109.054 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -60.97 2.53 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.31 -34.43 72.32 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.382 -0.824 . . . . 0.0 109.947 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -82.52 -38.84 23.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.214 -0.929 . . . . 0.0 110.372 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 31' ' ' GLU . 14.2 tp -72.57 -32.59 66.14 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.93 -41.46 68.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.608 -0.682 . . . . 0.0 109.423 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' OG ' ' B' ' 41' ' ' SER . 15.8 m-20 -82.74 -24.79 33.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.331 -0.856 . . . . 0.0 111.15 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.19 -43.62 7.65 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.964 -1.085 . . . . 0.0 111.427 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.7 tp10 -99.19 -66.88 0.87 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.972 -1.08 . . . . 0.0 110.327 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.27 39.31 0.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.464 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -87.4 -17.37 32.43 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.0 110.014 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.661 ' HD1' ' N ' ' B' ' 43' ' ' PHE . 1.5 p80 -99.43 -28.2 13.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.169 -0.957 . . . . 0.0 109.82 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.661 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.0 m-85 -98.46 -62.4 1.25 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.55 137.45 39.57 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.022 -1.049 . . . . 0.0 108.249 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -49.48 136.96 15.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.065 -1.022 . . . . 0.0 109.744 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.71 103.12 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.76 . . . . 0.0 109.608 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.31 128.78 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 108.883 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -114.51 -25.23 8.44 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.571 -0.706 . . . . 0.0 109.367 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.36 157.9 15.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.301 -0.875 . . . . 0.0 109.212 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.16 -29.46 14.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.197 -0.939 . . . . 0.0 109.747 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -52.53 -26.87 14.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.19 -0.943 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.01 -38.89 36.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -23.91 33.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -35.73 56.94 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' GLU . 45.8 tttt -73.22 -57.86 3.72 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -45.2 -44.51 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.33 -38.53 80.57 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.016 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 55' ' ' LYS . 6.2 tp10 -64.16 -30.11 71.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 46.8 m -88.82 -27.52 21.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.613 -0.679 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.17 -38.46 6.54 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 110.938 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -57.97 101.29 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.445 -1.41 . . . . 0.0 109.622 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.47 -30.98 16.16 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -5.11 59.05 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 42.82 96.58 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.474 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 33.8 p-10 -103.97 -5.73 21.93 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.502 -0.999 . . . . 0.0 109.848 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.31 0.38 36.96 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.018 -2.033 . . . . 0.0 108.018 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' B' ' 65' ' ' ASP . 80.0 mt-10 -127.64 164.96 20.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' ASP . 83.5 m -127.53 97.52 4.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.261 -0.9 . . . . 0.0 110.779 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.2 OUTLIER -55.17 -163.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -74.6 -45.01 47.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.164 -1.585 . . . . 0.0 111.301 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -62.54 -29.67 70.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.101 . . . . 0.0 110.4 -178.402 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 35.5 tt0 -92.5 -40.82 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.707 -1.246 . . . . 0.0 108.768 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -55.23 -42.61 73.61 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.102 -0.999 . . . . 0.0 108.921 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -45.69 92.34 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.04 -17.79 1.17 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.463 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.91 -56.73 4.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.949 -1.095 . . . . 0.0 108.774 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.34 -33.32 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.406 ' O ' ' CG2' ' B' ' 82' ' ' THR . 8.5 t -63.28 -36.13 82.65 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.577 0.703 . . . . 0.0 109.38 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 ttp -72.79 -25.94 61.34 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.95 -38.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.435 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.5 m -67.96 -37.89 82.11 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 78' ' ' SER . 32.2 p -66.08 -40.14 90.59 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.027 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.34 90.12 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.584 -1.323 . . . . 0.0 108.267 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.2 -10.1 38.4 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.605 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 3.3 t-160 -101.71 -42.54 6.15 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.64 -39.03 77.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.307 -0.871 . . . . 0.0 109.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.12 -58.43 8.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.242 -0.911 . . . . 0.0 109.66 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 t80 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.114 -0.991 . . . . 0.0 109.417 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 12' ' ' ASP . 31.6 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -25.02 61.31 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.63 -0.669 . . . . 0.0 110.797 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -65.52 -50.61 64.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.726 -1.234 . . . . 0.0 108.715 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.659 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -52.91 -45.14 67.46 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.65 -56.17 23.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.826 -0.546 . . . . 0.0 111.643 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 ptp -66.41 -28.42 68.61 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.749 -1.219 . . . . 0.0 109.33 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.9 -55.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.133 -0.98 . . . . 0.0 108.778 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.27 -32.69 17.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.617 -0.677 . . . . 0.0 110.112 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' PHE . 3.5 mt -77.28 -42.93 35.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.861 -1.149 . . . . 0.0 110.237 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.24 -35.14 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 109.201 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' B' ' 2' ' ' GLU . 24.8 t70 -71.64 -50.9 26.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.93 -25.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.652 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 10.5 t80 -73.49 -47.76 38.65 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.387 -0.821 . . . . 0.0 109.763 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.629 ' NE2' ' NE2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -74.98 -30.44 61.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.094 -1.003 . . . . 0.0 109.889 -179.021 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -67.49 -40.59 85.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.041 -1.037 . . . . 0.0 110.338 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -88.81 -57.69 2.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 108.636 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.511 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 m -53.37 -20.38 4.43 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.8 -3.03 56.18 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -61.19 -43.83 98.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.412 . . . . 0.0 108.477 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -162.97 171.25 16.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.773 . . . . 0.0 109.592 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.16 -167.31 23.75 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.08 -68.03 0.23 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.2 -1.176 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -41.05 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.306 -0.871 . . . . 0.0 109.653 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' NE2' ' NE2' ' A' ' 15' ' ' HIS . 9.6 m170 -133.33 64.8 1.6 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.089 -1.007 . . . . 0.0 110.81 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -144.07 149.42 36.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mp -97.59 129.28 44.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.996 -1.065 . . . . 0.0 111.039 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.4 mtmp? -107.9 157.92 17.78 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.8 ttpt -45.53 -47.62 14.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.998 -1.064 . . . . 0.0 109.351 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 m -48.62 -15.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.26 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' LEU . 29.5 mt-10 -99.19 -42.88 6.85 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.211 -0.931 . . . . 0.0 108.847 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -51.23 70.14 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.146 -0.971 . . . . 0.0 109.428 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.89 -36.29 81.96 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.083 -1.011 . . . . 0.0 109.635 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.41 -30.8 42.55 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.064 -1.023 . . . . 0.0 109.761 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLU . 27.3 tp -71.7 -34.22 69.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.116 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 pt -78.7 -33.3 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.733 -1.23 . . . . 0.0 109.542 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.02 -22.61 45.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -97.95 -42.8 7.36 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.244 -0.91 . . . . 0.0 111.829 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 41' ' ' SER . 10.0 mm-40 -105.92 -67.63 0.92 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.954 -1.091 . . . . 0.0 110.535 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.0 35.5 0.09 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.16 -0.962 . . . . 0.0 109.499 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.03 -20.84 26.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.119 -0.988 . . . . 0.0 109.899 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.66 -22.37 34.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.11 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.11 -45.12 3.08 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 135.63 33.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -69.37 142.37 53.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.247 -0.908 . . . . 0.0 109.362 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 111.08 6.68 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.89 129.04 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.095 -1.003 . . . . 0.0 110.252 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.62 -8.26 44.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -123.49 133.04 54.08 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -73.98 -13.69 60.91 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.215 -0.928 . . . . 0.0 108.963 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -39.15 -48.99 1.8 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.68 . . . . 0.0 112.178 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.0 m -71.33 -35.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 C-N-CA 118.286 -1.366 . . . . 0.0 107.868 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -66.68 -23.94 32.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.501 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 97.3 m-20 -79.14 -35.83 41.45 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.38 -47.44 19.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -53.45 -43.36 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -50.48 -38.63 45.02 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.83 -29.34 70.66 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 28.0 m -87.58 -28.4 21.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.474 -0.766 . . . . 0.0 109.527 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.37 -49.17 4.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.303 -0.873 . . . . 0.0 110.457 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' MET . 44.7 t0 -55.93 104.2 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.616 -1.302 . . . . 0.0 109.823 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.81 -40.56 11.72 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.4 p30 -80.5 -4.96 55.85 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.49 46.65 75.58 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 108.609 -1.796 . . . . 0.0 108.609 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 15.4 p30 -100.51 -5.32 27.12 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.372 -1.075 . . . . 0.0 110.041 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.52 -3.21 26.26 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.062 -2.015 . . . . 0.0 108.062 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 65' ' ' ASP . 36.3 mt-10 -117.77 170.1 9.06 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -122.65 88.85 3.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.465 -0.772 . . . . 0.0 109.617 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 1.5 m-20 -52.31 -175.56 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.136 -0.978 . . . . 0.0 108.611 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.15 -28.69 62.38 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.689 -1.257 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -69.88 -47.29 63.12 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.31 -0.869 . . . . 0.0 111.853 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.0 -30.07 21.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.536 -1.353 . . . . 0.0 108.531 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.69 -46.77 67.42 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.792 -1.192 . . . . 0.0 108.265 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -43.29 95.07 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -53.26 -19.35 3.1 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.89 -53.63 10.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.78 -1.2 . . . . 0.0 107.905 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -58.28 -32.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 21.9 p -59.25 -38.42 80.03 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.764 . . . . 0.0 109.285 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.8 ttm -72.12 -27.57 62.71 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.34 -39.99 19.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.464 ' HG1' ' CB ' ' B' ' 7' ' ' MET . 91.5 m -66.59 -36.6 83.01 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 p -67.25 -38.96 86.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.93 -1.106 . . . . 0.0 111.271 -178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.92 78.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.459 -1.401 . . . . 0.0 109.019 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.1 t -61.23 -11.07 8.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.289 -0.882 . . . . 0.0 108.707 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 1.8 t-80 -105.95 -35.14 7.39 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -75.21 -45.83 37.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.143 -0.973 . . . . 0.0 109.29 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.18 -27.86 67.62 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 3.1 m-85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.174 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 32.5 mt-10 . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -24.96 61.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.647 -0.658 . . . . 0.0 110.796 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -65.65 -50.18 65.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.851 -1.156 . . . . 0.0 108.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.66 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 0.3 OUTLIER -53.32 -44.99 68.84 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.22 22.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.777 -0.577 . . . . 0.0 111.597 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.464 ' CB ' ' HG1' ' A' ' 81' ' ' THR . 19.9 ptp -66.46 -28.29 68.47 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.78 -1.2 . . . . 0.0 109.329 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.89 -55.29 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.017 -1.052 . . . . 0.0 108.811 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.85 16.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.59 -0.694 . . . . 0.0 110.126 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 3.4 mt -77.29 -42.82 35.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.809 -1.182 . . . . 0.0 110.292 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -47.38 -35.05 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.756 -1.215 . . . . 0.0 109.105 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.426 ' OD2' ' OE2' ' A' ' 2' ' ' GLU . 25.0 t70 -71.64 -51.22 24.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.138 -0.976 . . . . 0.0 109.718 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -76.67 -26.04 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 10.8 t80 -73.42 -47.97 37.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.309 -0.869 . . . . 0.0 109.798 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.626 ' NE2' ' NE2' ' B' ' 25' ' ' HIS . 0.3 OUTLIER -74.88 -30.34 61.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -179.027 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -67.62 -40.46 84.66 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.068 -1.02 . . . . 0.0 110.335 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -89.04 -57.38 2.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.996 -1.065 . . . . 0.0 108.635 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 2.6 m -53.52 -20.39 4.88 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.87 -2.99 56.12 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -61.07 -43.82 98.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.843 -1.386 . . . . 0.0 108.538 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -162.91 171.01 17.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.456 -0.778 . . . . 0.0 109.634 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -167.46 23.78 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -46.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.193 -1.181 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.658 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.626 ' NE2' ' NE2' ' B' ' 15' ' ' HIS . 9.5 m170 -133.31 64.52 1.61 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.06 -1.025 . . . . 0.0 110.773 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -143.72 149.26 36.9 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.45 129.28 44.67 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 122.299 1.047 . . . . 0.0 111.049 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 29' ' ' LYS . 2.5 mtmp? -107.96 157.78 17.92 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 31' ' ' GLU . 15.5 ttpt -45.23 -47.86 12.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.894 -1.129 . . . . 0.0 109.381 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -48.46 -15.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.244 -0.91 . . . . 0.0 109.227 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 31.5 mt-10 -99.2 -42.7 6.93 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.273 -0.892 . . . . 0.0 108.804 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -51.35 69.6 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.99 -36.26 81.77 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.996 -1.065 . . . . 0.0 109.66 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -79.35 -30.82 42.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.047 -1.033 . . . . 0.0 109.677 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.6 tp -72.01 -33.91 68.43 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.316 -0.865 . . . . 0.0 110.105 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.74 -33.36 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.696 -1.252 . . . . 0.0 109.545 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -78.94 -22.45 45.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -98.08 -42.96 7.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.175 -0.953 . . . . 0.0 111.822 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.8 mm-40 -105.89 -67.81 0.91 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.919 -1.113 . . . . 0.0 110.514 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.63 35.44 0.09 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.042 -1.037 . . . . 0.0 109.531 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -87.04 -20.93 26.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.041 -1.037 . . . . 0.0 109.827 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.48 -22.33 35.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.062 -1.024 . . . . 0.0 109.254 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -114.23 -45.11 3.06 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.45 135.42 33.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.07 142.31 54.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.372 -0.83 . . . . 0.0 109.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 110.94 6.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.195 -0.94 . . . . 0.0 108.521 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' B' ' 47' ' ' ILE . 1.5 pt -75.77 128.92 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.97 . . . . 0.0 110.353 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -92.65 -8.15 44.9 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -123.49 132.92 54.06 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -73.91 -13.57 60.92 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 108.938 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -39.06 -48.91 1.71 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.557 -0.714 . . . . 0.0 112.098 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 m -71.54 -35.37 56.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.484 -1.385 . . . . 0.0 107.996 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -66.65 -23.98 32.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.505 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 97.7 m-20 -79.08 -35.98 41.54 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.33 -47.66 19.4 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.7 OUTLIER -53.15 -43.31 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -50.61 -38.47 45.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.659 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -63.0 -29.35 70.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 56' ' ' VAL . 29.8 m -87.57 -28.6 21.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.438 -0.789 . . . . 0.0 109.61 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.23 -48.99 4.63 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.26 -0.9 . . . . 0.0 110.467 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 44.7 t0 -55.9 104.14 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.661 -1.274 . . . . 0.0 109.86 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -90.76 -40.57 11.74 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.3 p30 -80.63 -4.67 55.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.23 46.59 78.31 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 14.9 p30 -100.46 -5.28 27.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.248 -1.148 . . . . 0.0 110.025 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.21 -2.86 25.49 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 65' ' ' ASP . 37.1 mt-10 -117.88 169.94 9.22 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' B' ' 69' ' ' ASP . 96.2 m -122.53 89.07 3.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.393 -0.817 . . . . 0.0 109.664 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' B' ' 68' ' ' CYS . 1.4 m-20 -52.44 -175.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.9 . . . . 0.0 108.579 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -73.18 -28.47 62.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.807 -1.183 . . . . 0.0 111.132 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -70.15 -47.17 62.78 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.886 . . . . 0.0 111.833 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -86.98 -30.16 21.47 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.557 -1.34 . . . . 0.0 108.56 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.57 -46.7 66.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 108.17 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -53.38 -19.31 3.3 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.81 -53.57 11.16 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.835 -1.166 . . . . 0.0 107.914 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.31 -32.85 45.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.51 ' HG ' ' N ' ' B' ' 79' ' ' MET . 22.1 p -59.44 -38.18 80.05 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.585 0.707 . . . . 0.0 109.249 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.51 ' N ' ' HG ' ' B' ' 78' ' ' SER . 16.9 ttm -71.98 -27.85 63.03 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.27 -39.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 70.9 m -66.84 -36.56 82.63 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -67.28 -39.18 86.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.995 -1.066 . . . . 0.0 111.221 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.03 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.562 -1.336 . . . . 0.0 109.058 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 18.9 t -61.29 -10.79 7.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.772 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.452 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 t-80 -106.05 -35.03 7.38 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -75.36 -46.0 35.82 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.227 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.01 -27.85 67.76 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.095 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 3.0 m-85 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 109.124 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.82 -24.98 55.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' CD ' ' CD1' ' B' ' 43' ' ' PHE . 17.5 tp10 -70.96 -37.14 72.78 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -40.67 96.02 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.7 -57.38 11.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.802 -0.562 . . . . 0.0 111.012 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -34.45 63.59 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.952 -1.093 . . . . 0.0 108.874 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.66 -56.48 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.973 -1.079 . . . . 0.0 108.621 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.62 59.26 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.43 0.634 . . . . 0.0 109.713 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -75.78 -45.35 36.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.323 -0.86 . . . . 0.0 110.181 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -46.0 -34.97 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.901 -1.124 . . . . 0.0 108.999 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.95 -52.28 15.16 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.857 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.47 -26.71 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.034 . . . . 0.0 109.112 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' LEU . 8.5 t80 -71.31 -52.45 18.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.004 -1.06 . . . . 0.0 109.673 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 8.1 t-80 -71.51 -32.85 68.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 0.0 110.721 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 3.8 tp-100 -67.24 -43.34 82.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.632 -1.292 . . . . 0.0 110.28 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 45.6 m-85 -86.67 -57.2 3.08 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.762 -1.211 . . . . 0.0 109.023 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 10.2 p -56.34 -29.86 61.88 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.236 -0.915 . . . . 0.0 108.948 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -91.2 1.72 77.51 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.38 -46.64 63.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.919 -1.342 . . . . 0.0 108.812 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.64 170.55 15.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.488 -0.757 . . . . 0.0 109.928 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.76 -170.48 38.28 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.749 -1.341 . . . . 0.0 109.749 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -48.72 -64.04 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -1.146 . . . . 0.0 108.766 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.8 tmtp? -178.19 -4.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.6 m-70 -153.51 50.3 0.69 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.066 -1.021 . . . . 0.0 110.761 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -133.02 145.74 51.11 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.41 125.67 39.2 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.387 -0.82 . . . . 0.0 111.038 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -110.35 157.54 19.4 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -48.8 -44.14 38.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.773 -1.204 . . . . 0.0 109.447 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 m -51.61 -18.31 1.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.97 . . . . 0.0 108.932 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 35' ' ' LEU . 61.2 mt-10 -100.99 -38.57 8.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.625 -0.672 . . . . 0.0 109.345 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -44.56 76.06 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.05 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.94 -36.24 69.85 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 108.543 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 37.2 tt0 -79.97 -32.73 39.83 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.543 -0.723 . . . . 0.0 109.95 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 31' ' ' GLU . 30.4 tp -71.6 -34.75 70.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 HD11 HG22 ' A' ' 36' ' ' ILE . 55.9 mt -70.01 -38.35 75.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -81.21 -23.31 38.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 111.492 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.676 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.7 OUTLIER -91.36 -44.0 9.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.659 -1.276 . . . . 0.0 111.896 -177.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -106.57 -57.74 2.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -81.09 34.93 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.148 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -20.18 29.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.945 -1.097 . . . . 0.0 109.532 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.72 -22.99 19.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.197 -0.939 . . . . 0.0 109.842 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CD1' ' CD ' ' B' ' 4' ' ' GLU . 41.1 m-85 -106.79 -51.8 2.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.466 -0.771 . . . . 0.0 109.71 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.57 134.38 34.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.048 -1.032 . . . . 0.0 108.803 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.9 pm0 -54.02 135.26 43.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.757 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 100.64 0.52 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.86 . . . . 0.0 109.136 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 pt -67.8 131.93 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.081 -1.012 . . . . 0.0 109.681 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -102.81 -15.06 16.36 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 mp0 -117.4 139.93 50.24 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -75.37 -16.6 60.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.33 -41.13 3.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.095 -1.003 . . . . 0.0 111.309 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 m -77.05 -37.94 27.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 120.71 -1.244 . . . . 0.0 107.864 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -62.1 -24.16 33.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -78.94 -35.94 42.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -72.41 -52.65 15.03 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.187 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 57' ' ' MET . 4.9 p -56.2 -41.57 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.006 -1.059 . . . . 0.0 108.442 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 17.3 mmm -63.5 -31.25 72.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.432 -0.792 . . . . 0.0 109.098 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.78 -32.16 73.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.436 -0.79 . . . . 0.0 109.535 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.7 m -88.09 -36.07 17.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.262 -0.899 . . . . 0.0 110.076 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.76 -46.96 13.51 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.083 -1.011 . . . . 0.0 110.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 43.7 t0 -55.75 108.92 0.49 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.406 -1.433 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -90.55 -45.68 8.78 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 16.2 p-10 -75.72 -1.55 25.43 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 44.49 85.59 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.279 -1.929 . . . . 0.0 108.279 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 52.4 p-10 -97.14 -3.57 40.85 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.376 -1.073 . . . . 0.0 109.76 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.73 0.42 68.32 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 107.896 -2.082 . . . . 0.0 107.896 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -126.29 170.69 11.63 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 4.7 m -124.65 97.16 5.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.608 -0.683 . . . . 0.0 111.138 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' CYS . 41.7 t0 -53.82 -172.72 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.437 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 1.5 p90 -78.32 -29.76 47.88 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.542 -1.349 . . . . 0.0 111.74 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.509 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.38 -37.59 65.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.749 -1.219 . . . . 0.0 111.131 -177.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 3.8 pt-20 -91.71 -34.39 14.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.509 -1.369 . . . . 0.0 108.909 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -52.56 -46.57 66.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.63 -1.294 . . . . 0.0 108.155 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -51.43 -21.89 2.65 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.605 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.34 -50.37 27.27 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.657 -1.277 . . . . 0.0 108.131 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' O ' ' OG1' ' A' ' 81' ' ' THR . 25.3 t -54.31 -36.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 82' ' ' THR . 90.0 p -71.92 -28.36 63.43 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.572 -0.705 . . . . 0.0 109.55 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 ttt -73.35 -33.29 65.02 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.56 -30.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 45.9 m -69.28 -38.43 78.35 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.1 p -61.13 -39.1 88.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.368 -0.832 . . . . 0.0 109.92 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.63 84.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.746 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.89 -21.72 59.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.405 -0.81 . . . . 0.0 109.505 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.518 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 4.3 t-80 -89.59 -37.95 14.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.309 -0.869 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -74.42 -35.53 63.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.142 -0.974 . . . . 0.0 109.375 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.42 -50.14 74.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.1 t80 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.582 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.7 tp -75.73 -25.11 56.31 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.44 ' CD ' ' CD1' ' A' ' 43' ' ' PHE . 17.7 tp10 -70.93 -37.09 72.88 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -56.81 13.76 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.741 -0.6 . . . . 0.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -34.09 63.43 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.893 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.83 -56.19 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.124 -0.985 . . . . 0.0 108.574 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -30.39 60.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.703 -0.623 . . . . 0.0 109.671 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -75.9 -45.2 36.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.331 -0.856 . . . . 0.0 110.208 -179.529 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.09 -34.9 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.978 -1.076 . . . . 0.0 108.983 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.1 -52.11 15.51 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.45 -26.82 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.076 -1.015 . . . . 0.0 109.24 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.4 t80 -71.59 -52.08 19.96 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.064 -1.055 . . . . 0.0 109.769 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.518 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 8.1 t-80 -71.66 -32.75 68.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 3.8 tp-100 -67.39 -43.27 81.77 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.525 -1.36 . . . . 0.0 110.273 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 45.6 m-85 -86.77 -57.27 3.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.758 -1.214 . . . . 0.0 109.069 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -56.12 -30.1 61.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.087 -1.008 . . . . 0.0 108.927 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.89 1.41 78.01 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -70.2 -46.54 64.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.379 . . . . 0.0 108.815 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.89 170.59 15.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.48 -0.763 . . . . 0.0 109.955 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.7 -170.46 38.37 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.56 -64.04 0.91 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -1.203 . . . . 0.0 108.782 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.546 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.7 tmtp? -178.23 -4.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.5 m-70 -153.43 50.46 0.7 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 110.643 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -132.97 145.79 51.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.57 125.49 39.25 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.3 -0.875 . . . . 0.0 111.015 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -110.24 157.41 19.48 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' B' ' 31' ' ' GLU . 43.7 mtmt -48.69 -44.06 37.65 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.91 -1.119 . . . . 0.0 109.541 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 32.9 m -51.75 -18.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.14 -0.975 . . . . 0.0 108.921 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' LEU . 60.9 mt-10 -100.96 -38.48 8.19 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -44.53 75.73 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.137 -0.977 . . . . 0.0 109.107 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.96 -36.32 69.82 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.173 -0.954 . . . . 0.0 108.579 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 37.2 tt0 -79.96 -32.98 39.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.583 -0.698 . . . . 0.0 109.876 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 31' ' ' GLU . 28.3 tp -71.22 -34.98 71.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.082 -1.012 . . . . 0.0 108.553 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.414 HD13 HG21 ' B' ' 36' ' ' ILE . 54.7 mt -69.97 -38.18 74.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -81.15 -23.52 38.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 111.509 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.674 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -91.21 -44.0 9.5 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.603 -1.311 . . . . 0.0 111.948 -177.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' B' ' 41' ' ' SER . 6.8 mm-40 -106.72 -57.89 2.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.032 -1.042 . . . . 0.0 110.174 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.53 34.74 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.393 -0.817 . . . . 0.0 109.071 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.71 -20.02 29.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 109.489 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.82 -23.03 18.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.243 -0.911 . . . . 0.0 109.822 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 4' ' ' GLU . 41.1 m-85 -106.77 -51.27 2.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.344 -0.848 . . . . 0.0 109.722 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.32 134.18 34.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.971 -1.081 . . . . 0.0 108.779 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.552 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 1.9 pm0 -53.63 135.34 40.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.0 109.85 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.54 100.9 0.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.35 -0.844 . . . . 0.0 109.145 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 pt -68.01 131.75 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.076 -1.015 . . . . 0.0 109.576 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -102.79 -15.01 16.38 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' B' ' 49' ' ' GLU . 7.2 mp0 -117.47 139.97 50.22 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -75.64 -16.49 60.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -43.45 -40.85 4.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 0.0 111.337 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.07 -38.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 120.639 -1.288 . . . . 0.0 107.818 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -62.08 -24.21 33.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 106.87 -1.529 . . . . 0.0 106.87 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -78.63 -36.18 44.42 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -72.1 -52.62 15.91 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' B' ' 57' ' ' MET . 4.7 p -56.54 -41.13 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.954 -1.091 . . . . 0.0 108.432 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.553 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 17.5 mmm -63.77 -31.09 72.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.387 -0.821 . . . . 0.0 109.088 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.82 -32.37 74.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.851 . . . . 0.0 109.587 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.1 m -87.88 -36.16 17.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.345 -0.847 . . . . 0.0 110.088 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.78 -46.98 13.45 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.105 -0.997 . . . . 0.0 110.472 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 43.4 t0 -55.66 108.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.346 -1.471 . . . . 0.0 109.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -90.52 -45.81 8.72 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 16.7 p-10 -75.58 -1.47 24.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 44.47 84.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 52.7 p-10 -97.1 -3.65 40.84 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.392 -1.063 . . . . 0.0 109.7 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.29 68.95 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 107.995 -2.042 . . . . 0.0 107.995 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -126.38 170.96 11.4 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.553 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 4.4 m -124.9 96.96 5.07 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.648 -0.657 . . . . 0.0 111.252 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 68' ' ' CYS . 41.7 t0 -53.67 -172.75 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.427 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 1.5 p90 -78.13 -29.97 49.1 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.486 -1.384 . . . . 0.0 111.692 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -73.11 -37.86 66.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.807 -1.183 . . . . 0.0 111.204 -177.593 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 3.7 pt-20 -91.61 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.516 -1.365 . . . . 0.0 109.001 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -52.43 -46.61 66.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.588 -1.32 . . . . 0.0 108.165 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -44.09 91.7 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -51.49 -21.82 2.7 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.55 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.27 -50.28 28.37 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.586 -1.322 . . . . 0.0 108.063 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.447 ' O ' ' OG1' ' B' ' 81' ' ' THR . 26.0 t -54.38 -36.57 34.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.456 ' O ' ' CG2' ' B' ' 82' ' ' THR . 97.8 p -71.91 -28.32 63.42 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.56 0.695 . . . . 0.0 109.666 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.15 -33.51 65.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 109.81 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.4 -31.08 5.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 54.8 m -69.2 -38.27 78.52 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 78' ' ' SER . 6.9 p -61.17 -39.54 90.53 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.368 -0.833 . . . . 0.0 109.902 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.71 84.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.017 -1.052 . . . . 0.0 108.807 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.91 -21.82 59.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.525 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 4.4 t-80 -89.42 -37.94 14.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.171 -0.956 . . . . 0.0 109.341 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -74.4 -35.48 63.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.118 -0.989 . . . . 0.0 109.397 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.67 -50.12 74.78 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.365 -0.834 . . . . 0.0 109.375 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.7 t80 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.383 -0.823 . . . . 0.0 109.919 -179.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 2.6 mm? -81.19 -25.72 36.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.095 -1.003 . . . . 0.0 109.422 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 24.3 tt0 -76.37 -22.67 54.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.923 -1.111 . . . . 0.0 108.32 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.39 -52.05 9.79 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -54.28 35.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 0.0 110.346 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.501 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 6.1 mtt -55.27 -37.57 67.46 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.096 -1.002 . . . . 0.0 109.776 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 72.1 t -77.5 -46.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.986 -1.071 . . . . 0.0 109.158 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -32.76 71.45 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.396 -0.815 . . . . 0.0 109.454 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.66 -48.1 14.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.009 -1.057 . . . . 0.0 110.785 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mt -45.61 -30.9 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.973 -1.08 . . . . 0.0 109.426 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -75.21 -47.63 27.32 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.214 -0.929 . . . . 0.0 108.799 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.48 -26.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.121 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -71.92 -51.69 20.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.872 . . . . 0.0 110.001 -179.314 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 2.3 t-160 -74.75 -26.37 59.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.903 -1.123 . . . . 0.0 110.689 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -67.62 -40.79 84.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.809 -1.182 . . . . 0.0 110.222 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -91.69 -58.37 2.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.875 -1.141 . . . . 0.0 109.382 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.118 -0.989 . . . . 0.0 108.45 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.45 -1.96 53.57 Favored Glycine 0 N--CA 1.497 2.712 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' NH1' ' CD ' ' A' ' 21' ' ' GLU . 66.7 ttt-85 -55.35 -38.72 69.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.873 -1.369 . . . . 0.0 109.495 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 17.6 pt-20 -166.82 172.65 10.2 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.447 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 69.55 -147.93 46.16 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 5.6 m-20 -47.17 171.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.63 -0.924 . . . . 0.0 109.492 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.01 -5.08 42.09 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.416 ' C ' ' HG ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -170.47 67.92 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.173 -1.579 . . . . 0.0 112.313 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 18' ' ' SER . 37.7 mtpt -141.7 148.21 38.71 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.537 -1.352 . . . . 0.0 107.506 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 3.6 mp -95.19 134.09 38.32 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 122.215 1.007 . . . . 0.0 111.24 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 45.5 mttp -112.01 156.44 22.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' HZ3' ' A' ' 29' ' ' LYS . 8.7 mtmp? -48.1 -38.57 17.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.731 -1.231 . . . . 0.0 108.607 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.7 m -54.29 -18.16 3.71 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 53.9 mt-10 -100.54 -42.6 6.5 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -49.83 69.84 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.138 -0.977 . . . . 0.0 108.926 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -66.77 -38.91 87.5 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.916 -1.115 . . . . 0.0 109.147 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.98 -31.3 56.42 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.215 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' GLU . 20.3 tp -76.33 -28.66 56.97 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 108.945 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -76.03 -41.9 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -80.11 -23.41 41.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.61 -43.84 8.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.141 -0.974 . . . . 0.0 111.622 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.4 mm-40 -107.76 -65.57 1.1 Allowed 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.017 -1.052 . . . . 0.0 110.966 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.57 28.61 0.06 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 109.397 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -79.57 -17.66 53.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.978 -1.076 . . . . 0.0 110.702 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.94 -25.25 16.62 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.851 -1.156 . . . . 0.0 110.299 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -108.98 -28.36 9.15 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.254 -0.904 . . . . 0.0 109.168 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -113.04 127.26 56.17 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 4.7 pm0 -49.49 132.11 20.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.404 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.07 100.79 0.79 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 0.0 108.848 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 47' ' ' ILE . 32.7 pt -63.39 138.94 22.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 109.845 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -106.7 -17.68 14.16 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -115.96 136.44 53.03 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.4 -18.55 60.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.151 -0.968 . . . . 0.0 109.711 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -45.04 -38.62 5.04 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 111.183 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.28 -38.36 26.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 120.701 -1.249 . . . . 0.0 107.671 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -61.75 -25.03 35.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 178.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.35 -29.99 42.47 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.661 ' HZ1' ' N ' ' A' ' 56' ' ' VAL . 1.4 ttpm? -77.75 -55.78 5.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.661 ' N ' ' HZ1' ' A' ' 55' ' ' LYS . 2.5 p -51.84 -42.82 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.439 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 10.1 mtp -61.75 -31.66 71.86 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 23.4 tt0 -67.11 -27.6 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.5 m -87.45 -28.12 22.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.606 -0.684 . . . . 0.0 109.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.24 -41.81 7.31 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.32 -0.863 . . . . 0.0 110.74 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' MET . 6.2 m-20 -55.47 108.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.475 -1.391 . . . . 0.0 110.03 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -90.03 -42.53 11.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.9 p-10 -79.09 -2.81 42.32 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.66 45.69 93.02 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -94.41 -5.19 46.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 109.546 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.99 4.1 58.01 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.371 -1.891 . . . . 0.0 108.371 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -125.69 175.0 7.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 69' ' ' ASP . 90.3 m -127.16 90.62 3.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' CYS . 6.8 m-20 -53.4 -169.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.82 -55.84 5.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.314 -1.491 . . . . 0.0 111.145 -178.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.34 -29.52 48.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -88.79 -42.43 11.91 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.964 -1.085 . . . . 0.0 108.677 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 2.2 t80 -59.22 -37.84 78.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.24 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.05 86.73 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.0 -18.55 1.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.92 -55.48 5.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.86 -1.15 . . . . 0.0 109.029 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.67 -30.95 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.826 -1.171 . . . . 0.0 108.002 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' CG2' ' A' ' 82' ' ' THR . 9.0 t -67.19 -34.79 78.26 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.35 -0.844 . . . . 0.0 109.277 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.02 -28.91 60.68 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.458 -0.776 . . . . 0.0 109.511 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -31.56 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.514 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.5 m -73.79 -35.74 64.96 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 78' ' ' SER . 21.0 p -68.14 -37.26 80.88 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.163 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.92 74.78 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.777 -1.202 . . . . 0.0 108.509 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.27 -22.23 51.76 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CE1' ' ND1' ' B' ' 15' ' ' HIS . 10.6 t60 -92.76 -35.46 13.43 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . 10.1 tp10 -66.13 -50.64 63.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 0.0 109.312 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.48 -34.66 75.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 108.836 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.561 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 2.6 mm? -81.16 -25.88 36.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.093 -1.004 . . . . 0.0 109.34 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.19 -22.86 54.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 108.302 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -77.27 -51.96 10.01 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.54 31.48 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 110.364 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.514 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 6.0 mtt -54.92 -37.57 66.56 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.157 -0.964 . . . . 0.0 109.771 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.58 -46.06 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.942 -1.099 . . . . 0.0 109.085 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.87 71.42 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.519 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -79.65 -47.98 14.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.956 -178.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -45.82 -30.8 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.97 -1.081 . . . . 0.0 109.332 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.09 -47.65 27.7 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 108.856 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.66 -26.44 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.35 -0.844 . . . . 0.0 109.068 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -71.74 -51.92 20.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.261 -0.899 . . . . 0.0 110.019 -179.402 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 2.3 t-160 -74.53 -26.19 59.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.848 -1.158 . . . . 0.0 110.74 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.86 -40.69 83.6 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.764 -1.21 . . . . 0.0 110.165 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.904 -1.122 . . . . 0.0 109.373 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.622 ' HG ' ' N ' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -52.58 -22.85 5.43 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.366 179.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.41 -1.87 53.66 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CD ' ' B' ' 21' ' ' GLU . 66.8 ttt-85 -55.41 -38.76 69.34 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.862 -1.375 . . . . 0.0 109.514 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 17.2 pt-20 -166.71 172.76 10.24 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.461 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 69.44 -147.93 46.33 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 5.6 m-20 -47.04 171.84 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.582 -0.952 . . . . 0.0 109.549 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -74.97 -5.15 42.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.618 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' C ' ' OG ' ' B' ' 18' ' ' SER . 1.0 OUTLIER -170.54 67.89 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.179 -1.575 . . . . 0.0 112.269 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.622 ' N ' ' HG ' ' B' ' 18' ' ' SER . 37.7 mtpt -141.65 148.39 39.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.548 -1.345 . . . . 0.0 107.616 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.25 134.13 38.36 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 122.281 1.038 . . . . 0.0 111.239 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 45.9 mttp -112.05 156.37 22.32 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 8.6 mtmp? -47.87 -38.86 17.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.642 -1.286 . . . . 0.0 108.61 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -18.13 3.72 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' B' ' 35' ' ' LEU . 53.4 mt-10 -100.63 -42.42 6.54 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -50.02 68.54 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.389 -0.924 . . . . 0.0 108.838 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.43 -38.98 88.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.844 -1.16 . . . . 0.0 109.133 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.91 -31.42 56.67 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.312 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 31' ' ' GLU . 19.7 tp -76.32 -28.78 57.05 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.203 -0.935 . . . . 0.0 108.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.43 HD12 HG21 ' B' ' 36' ' ' ILE . 57.0 mt -75.99 -41.65 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.433 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -80.22 -23.38 40.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 110.198 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -92.53 -44.02 8.85 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.096 -1.002 . . . . 0.0 111.633 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.3 mm-40 -107.52 -65.61 1.09 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.47 28.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.443 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.547 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.1 p -79.57 -17.6 53.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 110.697 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.89 -25.1 16.71 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.903 -1.123 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -109.0 -28.54 9.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.245 -0.909 . . . . 0.0 109.193 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.85 127.29 56.14 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 4.7 pm0 -49.52 132.05 21.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.357 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.08 100.84 0.8 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 108.798 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 pt -63.35 138.87 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.959 -1.088 . . . . 0.0 109.767 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.7 -17.77 14.14 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.8 136.42 53.07 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.44 -18.4 60.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.23 -0.919 . . . . 0.0 109.683 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -45.05 -38.61 5.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.025 -1.047 . . . . 0.0 111.303 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.18 -38.59 27.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.436 ' O ' ' SD ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -61.75 -24.92 35.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -79.51 -29.81 41.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.678 ' HZ3' ' N ' ' B' ' 56' ' ' VAL . 1.4 ttpm? -77.83 -55.83 5.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.678 ' N ' ' HZ3' ' B' ' 55' ' ' LYS . 2.5 p -51.78 -42.74 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.503 ' O ' ' N ' ' B' ' 61' ' ' ASP . 10.1 mtp -61.8 -31.63 71.86 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 55' ' ' LYS . 23.3 tt0 -67.11 -27.86 67.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -87.13 -28.18 22.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.28 -41.89 7.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.36 -0.838 . . . . 0.0 110.745 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 57' ' ' MET . 6.2 m-20 -55.47 108.86 0.47 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.505 -1.372 . . . . 0.0 109.989 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -89.96 -42.82 10.96 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 21.1 p-10 -78.87 -2.52 40.17 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.33 45.87 92.37 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -94.46 -5.28 46.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.447 -1.031 . . . . 0.0 109.552 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.03 4.21 58.5 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -125.84 174.97 7.98 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' B' ' 69' ' ' ASP . 89.1 m -127.19 90.58 3.16 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.246 -0.909 . . . . 0.0 110.513 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 68' ' ' CYS . 7.0 m-20 -53.33 -169.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.92 -55.81 5.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.418 -1.426 . . . . 0.0 111.179 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.26 -29.43 46.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.895 -1.128 . . . . 0.0 110.363 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -88.88 -42.4 11.87 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 108.691 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 2.2 t80 -59.29 -37.81 78.62 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.282 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.1 86.54 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.95 -18.6 1.41 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.581 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -74.84 -55.41 5.84 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.845 -1.159 . . . . 0.0 109.089 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.424 ' O ' ' OG1' ' B' ' 81' ' ' THR . 55.1 t -54.69 -30.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.469 ' O ' ' CG2' ' B' ' 82' ' ' THR . 9.5 t -67.28 -34.83 78.24 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.268 -0.895 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -74.87 -29.16 60.93 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.427 -0.796 . . . . 0.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -87.19 -31.78 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.501 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 43.8 m -73.78 -35.48 64.95 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' B' ' 78' ' ' SER . 20.6 p -68.39 -37.21 80.17 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.183 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.15 74.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.628 -1.295 . . . . 0.0 108.473 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 -22.17 49.4 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.401 ' CE1' ' ND1' ' A' ' 15' ' ' HIS . 11.0 t60 -92.8 -35.54 13.35 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.1 tp10 -66.02 -50.52 63.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 0.0 109.423 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -61.58 -34.51 75.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.333 -0.855 . . . . 0.0 108.84 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.71 -23.05 56.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 0.0 109.319 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.65 -28.26 33.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.977 -1.077 . . . . 0.0 108.758 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.33 -44.72 67.62 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.34 -46.79 84.99 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.415 -0.803 . . . . 0.0 109.362 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.0 mtt -53.83 -43.02 69.1 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 109.026 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.26 -51.91 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.356 -0.84 . . . . 0.0 109.881 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -31.3 64.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.406 -0.808 . . . . 0.0 110.26 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' PHE . 2.5 mt -79.18 -45.79 19.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.818 -1.176 . . . . 0.0 110.789 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -46.98 -33.85 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.901 -1.125 . . . . 0.0 109.66 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.34 -51.96 13.61 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.072 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.39 -25.46 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 0.0 109.328 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.9 t80 -69.61 -45.26 68.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.218 -0.926 . . . . 0.0 110.234 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.87 51.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.974 -1.079 . . . . 0.0 111.087 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.77 -42.32 81.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.856 -1.152 . . . . 0.0 111.099 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' GLY . 43.6 m-85 -84.51 -59.46 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.596 -1.315 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -52.22 -20.39 2.6 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.783 -1.198 . . . . 0.0 107.963 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' TYR . . . -99.54 4.78 58.31 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -74.61 -49.09 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.734 -1.451 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 6.0 tt0 -135.02 162.98 30.92 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.227 -0.921 . . . . 0.0 110.025 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.598 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 84.0 -172.96 50.19 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.94 34.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -1.148 . . . . 0.0 108.376 178.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.598 ' H ' ' C ' ' A' ' 22' ' ' GLY . 21.0 pttm 45.59 171.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.905 0.859 . . . . 0.0 111.703 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 64.61 0.26 1.09 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.611 -0.681 . . . . 0.0 109.434 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 21.4 mmtt -125.42 142.83 51.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.36 120.8 31.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.354 -0.841 . . . . 0.0 109.669 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 148.02 26.83 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 31' ' ' GLU . 33.9 mtmm -46.19 -47.38 17.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.526 -1.359 . . . . 0.0 109.738 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -51.99 -12.39 0.22 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mt-10 -102.86 -37.97 7.61 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -61.58 2.22 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -58.72 -39.0 79.57 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.973 -1.079 . . . . 0.0 109.626 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -76.43 -30.63 57.47 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.206 -0.934 . . . . 0.0 110.453 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLU . 56.4 tp -74.66 -33.11 62.43 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.064 -1.023 . . . . 0.0 108.245 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mm -69.53 -43.73 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.639 -0.663 . . . . 0.0 109.739 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.4 t-20 -84.57 -25.38 28.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.326 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.47 -46.99 9.11 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.553 -1.342 . . . . 0.0 111.982 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.0 tt0 -104.19 -57.49 2.02 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.874 -1.141 . . . . 0.0 110.601 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.18 32.75 0.12 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.108 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.39 -16.66 36.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.016 -1.052 . . . . 0.0 110.366 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.13 -20.48 15.97 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.947 -1.096 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.56 -47.4 3.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.495 -0.753 . . . . 0.0 109.457 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.56 139.23 35.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -47.33 128.9 12.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.3 -0.875 . . . . 0.0 109.602 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.5 mp0 -58.54 100.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.191 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.58 124.55 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -0.965 . . . . 0.0 108.501 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -112.84 -21.82 10.98 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.24 150.55 20.79 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.13 -27.81 16.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.115 -0.99 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -51.53 -29.8 18.12 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 0.0 110.325 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.1 -37.07 39.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.756 -1.215 . . . . 0.0 108.017 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -23.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.55 -34.05 60.69 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.15 -49.35 14.01 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -40.46 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 3.0 mmt -64.09 -27.69 69.27 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -65.86 -37.07 85.21 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.3 m -83.93 -28.59 27.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.469 -0.77 . . . . 0.0 109.311 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.5 mm? -95.05 -47.25 6.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.253 -0.904 . . . . 0.0 110.929 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.2 t0 -57.26 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.964 -1.71 . . . . 0.0 109.569 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 60' ' ' LEU . 14.3 tp10 -91.27 -29.95 16.89 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.5 p-10 -82.73 -5.05 58.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.0 45.59 96.3 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.2 p-10 -103.47 -6.17 22.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.502 -0.999 . . . . 0.0 109.265 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.92 -5.21 6.49 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.416 -1.873 . . . . 0.0 108.416 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 65' ' ' ASP . 47.7 mt-10 -122.35 170.61 9.76 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.508 ' O ' ' O ' ' A' ' 69' ' ' ASP . 54.9 m -127.33 94.57 4.03 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.35 -173.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.95 -30.31 67.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.412 -1.43 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -77.5 -28.99 52.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.078 . . . . 0.0 110.538 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 28.3 tt0 -91.41 -41.61 10.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.617 -1.302 . . . . 0.0 109.948 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.48 -39.23 83.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.852 -1.155 . . . . 0.0 108.382 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttt -76.0 -16.18 60.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.17 -0.956 . . . . 0.0 108.455 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -72.04 -24.13 61.49 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 176.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.45 -41.9 60.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.458 -0.776 . . . . 0.0 109.42 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.71 -39.88 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 118.463 -1.295 . . . . 0.0 107.563 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 21.5 p -63.58 -37.68 88.24 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -68.57 -25.74 65.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -83.44 -37.91 13.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.2 m -64.83 -40.8 95.76 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 p -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.169 -0.957 . . . . 0.0 110.632 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.8 -28.89 52.59 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.839 -1.163 . . . . 0.0 108.171 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 m -80.8 -10.73 59.7 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.45 -41.95 5.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.606 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -79.51 -30.91 42.1 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.777 -1.202 . . . . 0.0 110.243 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.21 -47.99 69.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.096 -1.002 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 121.15 -0.969 . . . . 0.0 109.451 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.56 -23.08 56.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.0 109.299 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.69 -28.29 33.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.92 -1.112 . . . . 0.0 108.781 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.35 -44.69 67.62 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.52 85.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.6 mtt -54.03 -42.76 69.52 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.088 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.47 -51.91 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.405 -0.809 . . . . 0.0 109.834 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.39 63.84 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.416 -0.802 . . . . 0.0 110.223 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 14' ' ' PHE . 2.4 mt -79.19 -45.89 18.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.805 -1.185 . . . . 0.0 110.781 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -46.88 -33.91 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.975 -1.078 . . . . 0.0 109.618 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -74.33 -51.99 13.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.174 -0.954 . . . . 0.0 109.969 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.31 -25.62 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 109.209 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.9 t80 -69.53 -45.37 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.235 -0.915 . . . . 0.0 110.224 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.82 51.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.974 -1.079 . . . . 0.0 111.047 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.91 -42.19 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.927 -1.108 . . . . 0.0 111.118 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.599 ' HH ' HD21 ' B' ' 38' ' ' ASN . 43.3 m-85 -84.5 -59.39 2.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.546 -1.346 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -52.31 -20.38 2.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.778 -1.201 . . . . 0.0 107.924 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 5.03 58.29 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -74.76 -49.14 22.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.686 -1.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.404 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 6.0 tt0 -134.9 162.97 30.91 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.13 -0.981 . . . . 0.0 109.995 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.598 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 83.97 -172.99 50.26 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -74.86 34.33 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -1.099 . . . . 0.0 108.37 179.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.598 ' H ' ' C ' ' B' ' 22' ' ' GLY . 21.0 pttm 45.65 171.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.886 0.851 . . . . 0.0 111.755 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 64.55 0.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.659 -0.65 . . . . 0.0 109.382 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.531 ' HZ3' ' CG ' ' B' ' 69' ' ' ASP . 21.0 mmtt -125.4 142.85 51.27 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.27 120.73 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 109.704 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 148.15 26.67 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' B' ' 31' ' ' GLU . 33.8 mtmm -46.11 -47.41 17.32 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.509 -1.37 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.7 m -51.99 -12.41 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.218 -0.926 . . . . 0.0 110.079 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 35' ' ' LEU . 15.3 mt-10 -102.81 -38.06 7.59 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -61.74 2.12 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -58.54 -39.04 79.07 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.894 -1.128 . . . . 0.0 109.666 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -76.39 -30.57 57.56 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.478 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' ' 31' ' ' GLU . 56.7 tp -74.84 -32.97 62.08 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mm -69.61 -43.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.58 -0.7 . . . . 0.0 109.755 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.456 ' O ' ' OG ' ' B' ' 41' ' ' SER . 16.6 t-20 -84.46 -25.35 28.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 111.338 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.599 HD21 ' HH ' ' B' ' 17' ' ' TYR . 53.6 t30 -87.5 -47.0 9.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.551 -1.343 . . . . 0.0 111.989 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.474 ' C ' ' H ' ' B' ' 41' ' ' SER . 39.7 tt0 -104.19 -57.5 2.02 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.875 -1.141 . . . . 0.0 110.602 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.21 32.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.162 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.43 -16.67 36.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.943 -1.098 . . . . 0.0 110.32 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -100.08 -20.52 15.98 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.875 -1.141 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.61 -47.39 3.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.399 -0.813 . . . . 0.0 109.425 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -99.44 139.2 35.44 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -47.32 128.93 12.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.479 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 1.5 mp0 -58.44 100.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.555 -0.715 . . . . 0.0 110.225 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mt -65.57 124.53 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 108.518 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -112.8 -21.88 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.25 150.6 20.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -93.12 -27.88 16.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.139 -0.975 . . . . 0.0 109.511 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -51.65 -29.6 18.45 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.392 -0.817 . . . . 0.0 110.382 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.23 -37.08 38.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.78 -1.2 . . . . 0.0 108.026 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -23.86 30.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.64 -34.03 60.51 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.02 -49.39 14.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -40.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' B' ' 61' ' ' ASP . 3.0 mmt -64.19 -27.62 69.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.94 -37.04 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.0 108.635 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.2 m -83.9 -28.64 27.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.577 -0.702 . . . . 0.0 109.303 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 62' ' ' GLU . 4.5 mm? -94.93 -47.44 6.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 110.971 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.1 t0 -57.28 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.99 -1.694 . . . . 0.0 109.575 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 60' ' ' LEU . 14.4 tp10 -91.17 -30.1 16.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.7 p-10 -82.64 -5.08 58.63 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.04 45.56 96.35 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' B' ' 67' ' ' GLU . 38.3 p-10 -103.47 -6.1 22.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.437 -1.037 . . . . 0.0 109.346 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.74 -5.11 6.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' B' ' 65' ' ' ASP . 47.4 mt-10 -122.31 170.45 9.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 54.9 m -127.29 94.66 4.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.089 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.531 ' CG ' ' HZ3' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -50.28 -173.31 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.8 -30.44 67.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.368 -1.457 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.39 -29.06 52.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.983 -1.073 . . . . 0.0 110.574 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.419 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 28.2 tt0 -91.38 -41.78 10.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.631 -1.293 . . . . 0.0 109.976 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.45 -39.18 82.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.807 -1.183 . . . . 0.0 108.365 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ttt -76.01 -16.08 60.03 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.058 -1.026 . . . . 0.0 108.421 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -72.18 -24.01 61.36 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 176.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -74.62 -42.14 59.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.488 -0.757 . . . . 0.0 109.329 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.47 -39.75 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 118.451 -1.3 . . . . 0.0 107.669 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.8 p -63.63 -37.77 88.58 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -68.61 -25.7 64.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.42 -37.8 13.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 m -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -59.85 -45.16 93.3 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.278 -0.889 . . . . 0.0 110.635 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.83 52.0 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 120.837 -1.164 . . . . 0.0 108.149 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.84 -10.79 59.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.39 -41.84 5.4 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.237 -0.915 . . . . 0.0 110.717 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -79.58 -30.89 41.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.819 -1.176 . . . . 0.0 110.177 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.29 -47.98 69.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.039 -1.038 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.25 -18.36 63.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.419 -0.8 . . . . 0.0 109.733 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -74.18 -28.3 61.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.197 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -69.27 -45.94 68.45 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.31 20.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.729 -0.607 . . . . 0.0 111.087 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 5.7 mtt -52.38 -38.59 59.25 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.173 -0.954 . . . . 0.0 110.511 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -77.05 -41.48 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.778 -1.201 . . . . 0.0 109.465 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.91 77.99 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.399 -0.813 . . . . 0.0 109.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 10.0 mp -79.84 -47.62 14.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.919 -1.113 . . . . 0.0 110.77 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mt -45.29 -32.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.745 -1.222 . . . . 0.0 109.982 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.84 -52.13 9.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.0 109.7 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.73 -25.7 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -64.38 -58.43 6.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.45 -0.782 . . . . 0.0 110.59 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.61 -26.36 37.84 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.74 -1.225 . . . . 0.0 111.262 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.51 -41.69 90.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.439 -1.413 . . . . 0.0 109.049 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.91 -42.76 32.11 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 108.851 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -59.31 -40.03 84.96 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.01 6.19 72.34 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -67.73 -50.97 54.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.77 -1.43 . . . . 0.0 108.58 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -156.08 161.21 40.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.323 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.73 -167.94 32.85 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.0 128.02 34.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.486 -1.008 . . . . 0.0 110.219 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 44.9 pttt -74.82 170.73 15.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.513 -0.742 . . . . 0.0 109.863 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t60 82.9 -7.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.962 -0.461 . . . . 0.0 110.396 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -135.05 146.75 49.26 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.268 -0.895 . . . . 0.0 108.623 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.81 134.91 35.66 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.981 0.896 . . . . 0.0 108.748 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' GLU . 31.1 mttm -109.57 158.91 17.55 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mtmm -45.95 -47.55 16.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.003 -1.061 . . . . 0.0 109.367 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -51.41 -16.49 0.57 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.186 -0.946 . . . . 0.0 108.66 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' LEU . 33.2 mt-10 -99.77 -44.66 6.01 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -54.02 47.68 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -66.0 -35.71 81.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.752 -1.217 . . . . 0.0 109.499 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.84 -32.16 46.03 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.983 -1.073 . . . . 0.0 109.899 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.6 tp -71.41 -34.99 70.83 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.36 -39.92 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.34 -22.78 38.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.538 -0.726 . . . . 0.0 111.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.77 -43.99 7.27 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.875 -1.141 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' A' ' 41' ' ' SER . 17.3 mp0 -105.53 -63.98 1.19 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.85 -1.157 . . . . 0.0 110.013 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 33.79 0.08 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -88.49 -19.57 26.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.88 -1.137 . . . . 0.0 110.708 -179.435 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -91.87 -26.36 18.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.929 -1.107 . . . . 0.0 109.308 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -103.02 -50.27 3.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.438 -0.789 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.79 136.93 32.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.962 -1.086 . . . . 0.0 108.522 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 47' ' ' ILE . 23.2 tt0 -49.36 134.93 18.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.0 109.758 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.0 pm0 -56.0 82.11 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.608 -0.682 . . . . 0.0 109.834 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.1 mt -55.89 125.0 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.342 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -113.38 -18.38 12.04 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -100.15 152.94 19.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 108.941 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.3 -26.52 17.28 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.27 -0.894 . . . . 0.0 110.227 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.45 -34.81 5.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.935 . . . . 0.0 111.094 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.5 -38.34 45.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.738 -1.226 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -22.99 30.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.76 35.58 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -34.03 23.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.473 -0.767 . . . . 0.0 108.988 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.8 OUTLIER -62.41 -42.91 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.047 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.5 mtt -60.0 -35.24 74.62 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -62.06 -30.27 70.87 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.04 -1.038 . . . . 0.0 108.732 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.8 m -88.54 -29.23 20.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.679 -0.638 . . . . 0.0 109.806 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.08 -42.45 6.37 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.0 t0 -55.87 104.93 0.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.334 -1.479 . . . . 0.0 110.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' B' ' 62' ' ' GLU . 57.4 tt0 -90.85 -45.04 9.03 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p30 -77.9 -2.98 39.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.26 44.02 97.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -96.17 -4.79 41.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.47 -1.017 . . . . 0.0 109.842 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.85 7.71 50.14 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.339 -1.904 . . . . 0.0 108.339 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -129.03 173.11 10.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -127.44 91.54 3.33 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.396 -0.815 . . . . 0.0 110.84 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.499 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 41.6 t0 -54.11 -167.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.499 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 1.5 p90 -77.84 -30.52 51.07 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.461 -1.399 . . . . 0.0 111.334 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 2.7 pp0? -75.58 -33.27 60.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.832 -1.168 . . . . 0.0 110.524 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 50.2 tt0 -87.23 -38.03 16.7 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.841 -1.162 . . . . 0.0 108.212 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 109.052 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -77.11 -17.04 58.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.55 -18.97 50.61 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 176.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.73 -54.28 7.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.97 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 66.9 t -52.57 -33.83 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.111 -0.993 . . . . 0.0 108.525 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.8 OUTLIER -66.93 -35.17 79.39 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -72.42 -29.3 63.58 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.813 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.43 -31.62 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 48.7 m -74.73 -36.1 62.65 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 78' ' ' SER . 16.7 p -66.25 -37.14 84.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.024 -1.048 . . . . 0.0 110.21 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.92 76.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.768 -1.207 . . . . 0.0 108.555 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.75 -44.91 80.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 108.94 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.66 -28.04 63.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.352 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -68.27 -50.32 54.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 108.992 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.55 -45.93 77.19 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.367 -0.833 . . . . 0.0 109.715 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.34 -18.59 63.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -74.12 -28.28 61.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.876 -1.14 . . . . 0.0 108.183 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.24 -45.81 68.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 -55.3 20.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.816 -0.552 . . . . 0.0 111.072 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.6 mtt -52.35 -38.58 59.1 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.194 -0.941 . . . . 0.0 110.565 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.2 -41.31 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.203 . . . . 0.0 109.418 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.85 78.18 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.385 -0.822 . . . . 0.0 109.929 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 10.0 mp -79.9 -47.49 14.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.895 -1.128 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mt -45.26 -32.77 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.629 -1.294 . . . . 0.0 109.972 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.69 -52.4 9.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.047 -1.033 . . . . 0.0 109.731 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.81 -25.56 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.1 t80 -64.33 -58.39 6.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.494 -0.754 . . . . 0.0 110.627 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.71 -26.5 37.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.808 -1.182 . . . . 0.0 111.169 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -59.35 -41.71 89.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.398 -1.439 . . . . 0.0 109.015 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.88 -42.62 32.73 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 108.861 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -59.53 -39.99 85.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.92 6.13 72.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.84 -50.79 54.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.935 -1.333 . . . . 0.0 108.631 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -156.04 161.03 40.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.501 -0.749 . . . . 0.0 110.367 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.82 -167.91 33.27 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.08 128.0 34.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.453 -1.028 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 46.5 pttt -74.74 170.69 15.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.947 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t60 82.87 -6.87 1.25 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.961 -0.462 . . . . 0.0 110.479 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -135.16 146.67 48.98 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -93.61 134.91 35.41 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.968 0.89 . . . . 0.0 108.899 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' GLU . 32.8 mttm -109.62 158.73 17.76 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' B' ' 31' ' ' GLU . 27.6 mtmm -45.83 -47.37 15.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.951 -1.093 . . . . 0.0 109.389 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -51.43 -16.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.134 -0.978 . . . . 0.0 108.646 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 28' ' ' LYS . 33.6 mt-10 -99.73 -44.66 6.02 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -54.02 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.083 -1.01 . . . . 0.0 109.179 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -66.12 -35.74 81.31 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.795 -1.19 . . . . 0.0 109.427 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.76 -32.15 46.48 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.032 -1.042 . . . . 0.0 109.928 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 12.4 tp -71.4 -35.03 70.88 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.42 -39.88 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.39 -22.6 38.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.664 -0.648 . . . . 0.0 111.327 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.8 -43.94 7.29 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.882 -1.136 . . . . 0.0 112.198 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 41' ' ' SER . 17.5 mp0 -105.66 -63.86 1.2 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.852 -1.155 . . . . 0.0 110.032 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 34.06 0.09 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 108.626 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.517 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -88.63 -19.7 25.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.853 -1.154 . . . . 0.0 110.568 -179.574 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -91.85 -26.1 18.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.14 . . . . 0.0 109.376 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -103.05 -50.43 3.5 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.418 -0.801 . . . . 0.0 109.606 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.8 tp -88.83 136.99 32.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.939 -1.1 . . . . 0.0 108.592 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 47' ' ' ILE . 23.7 tt0 -49.4 134.92 18.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.768 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.0 pm0 -56.02 82.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' B' ' 45' ' ' GLU . 9.3 mt -55.79 125.17 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.066 -1.021 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -113.67 -18.16 11.95 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -100.05 152.75 19.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.435 -0.791 . . . . 0.0 108.93 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.46 -26.45 17.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.195 -0.941 . . . . 0.0 110.183 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -46.44 -34.98 5.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.205 -0.934 . . . . 0.0 111.03 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.9 m -74.42 -38.29 46.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.716 -1.24 . . . . 0.0 108.026 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -23.05 30.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.63 35.68 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -33.95 22.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 108.947 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.8 OUTLIER -62.32 -43.19 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 11.1 mtt -59.79 -35.13 74.03 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -62.15 -30.25 70.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 108.669 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 41.6 m -88.63 -29.06 20.23 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.567 -0.708 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.07 -42.31 6.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.286 -0.884 . . . . 0.0 110.69 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.0 t0 -55.94 104.99 0.16 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.411 -1.431 . . . . 0.0 110.145 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' A' ' 62' ' ' GLU . 58.4 tt0 -91.02 -44.82 9.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 7.7 p30 -78.04 -2.82 39.06 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.99 44.14 97.49 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -96.14 -4.89 41.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.338 -1.095 . . . . 0.0 109.792 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.73 8.06 50.92 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.37 173.07 10.88 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.485 ' O ' ' O ' ' B' ' 69' ' ' ASP . 98.5 m -127.54 91.64 3.34 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.48 -0.763 . . . . 0.0 110.783 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 41.9 t0 -54.13 -167.28 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.496 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 1.5 p90 -77.8 -30.66 51.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.518 -1.364 . . . . 0.0 111.321 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 2.7 pp0? -75.47 -33.31 60.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.741 -1.225 . . . . 0.0 110.664 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 50.5 tt0 -87.03 -38.07 16.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.769 -1.207 . . . . 0.0 108.336 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.14 -37.98 75.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.52 -0.737 . . . . 0.0 109.069 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -77.02 -17.19 58.99 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.5 -19.05 50.6 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.66 -54.47 7.35 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.715 -0.794 . . . . 0.0 108.99 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' B' ' 81' ' ' THR . 73.9 t -52.28 -33.79 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 108.664 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.484 ' O ' ' CG2' ' B' ' 82' ' ' THR . 0.8 OUTLIER -66.9 -35.2 79.46 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -72.18 -29.53 64.08 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -31.59 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 44.8 m -74.81 -36.12 62.46 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.511 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 16.6 p -66.04 -37.4 85.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.087 -1.008 . . . . 0.0 110.285 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.65 75.59 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.918 -1.114 . . . . 0.0 108.704 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.85 -44.82 80.01 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.63 -28.03 63.5 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.305 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -68.34 -50.24 54.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.0 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.63 -45.88 77.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 108.832 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.719 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -71.81 -21.27 61.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.395 -0.815 . . . . 0.0 111.235 -178.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -70.66 -33.99 71.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.579 -1.326 . . . . 0.0 109.001 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.14 -45.5 66.68 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.657 -0.652 . . . . 0.0 109.47 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.91 -55.95 24.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.178 -0.951 . . . . 0.0 110.749 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -57.79 -37.47 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.913 -1.117 . . . . 0.0 109.002 -179.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.15 -54.31 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.504 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.44 68.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' PHE . 1.4 mt -79.58 -49.22 12.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.225 -0.922 . . . . 0.0 110.129 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.6 -36.74 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.128 -0.983 . . . . 0.0 109.136 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.033 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -72.86 -26.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.136 -0.977 . . . . 0.0 109.622 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -70.64 -44.11 67.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.637 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 0.2 OUTLIER -78.43 -40.56 35.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.064 -1.022 . . . . 0.0 110.664 -178.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.06 -41.91 89.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.789 -1.194 . . . . 0.0 110.106 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.2 -56.44 3.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 109.616 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 2.2 m -58.74 -26.79 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.953 -1.092 . . . . 0.0 108.78 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -94.08 0.08 66.32 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -62.74 -46.3 88.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.051 -1.264 . . . . 0.0 108.665 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -161.0 153.36 20.37 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 118.06 -170.68 13.73 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -47.42 -69.97 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.47 -9.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.291 -0.88 . . . . 0.0 109.017 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.05 61.69 0.07 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.476 -1.39 . . . . 0.0 110.667 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -136.8 147.31 46.53 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.02 128.56 45.18 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.965 0.888 . . . . 0.0 110.709 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.9 mtmp? -110.97 161.02 16.27 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -46.7 -42.28 16.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.105 -0.997 . . . . 0.0 109.118 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -18.93 3.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' LYS . 56.0 mt-10 -99.72 -35.69 9.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.287 -0.883 . . . . 0.0 108.702 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -55.76 11.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.498 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -68.13 -33.67 74.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.964 -1.085 . . . . 0.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.44 -32.88 54.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.992 -1.068 . . . . 0.0 109.933 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.0 tp -70.02 -35.8 74.6 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -69.03 -40.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.619 -0.676 . . . . 0.0 110.324 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 69.2 m-80 -82.3 -24.63 34.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.022 -1.049 . . . . 0.0 111.588 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.25 -45.38 8.66 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.665 -1.272 . . . . 0.0 112.582 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' C ' ' H ' ' A' ' 41' ' ' SER . 30.5 tt0 -110.44 -60.06 1.86 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.857 -1.152 . . . . 0.0 110.25 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.74 28.78 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.92 -1.113 . . . . 0.0 108.432 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.601 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.53 -17.2 32.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 110.14 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.695 ' HD1' ' N ' ' A' ' 43' ' ' PHE . 1.3 p80 -89.37 -27.13 20.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.832 -1.168 . . . . 0.0 109.589 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.695 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 2.2 m-85 -106.7 -47.46 3.74 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 tp -86.9 135.23 33.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.951 -1.093 . . . . 0.0 108.788 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 47' ' ' ILE . 83.7 mt-10 -50.2 135.34 21.37 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 10.0 mp0 -54.63 82.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.603 -0.686 . . . . 0.0 109.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.4 mt -59.19 125.58 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.067 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -115.61 -15.51 11.4 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.24 149.78 25.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.544 -0.723 . . . . 0.0 109.124 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' VAL . 18.3 mt-30 -86.57 -26.07 24.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.188 -0.945 . . . . 0.0 109.406 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -42.29 -39.13 2.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.444 -0.785 . . . . 0.0 110.835 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 p -75.11 -38.94 43.13 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.56 -23.82 32.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.55 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' GLN . 84.5 m-20 -77.63 -35.29 52.77 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -82.27 -43.88 16.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 109.161 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -37.14 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 120.477 -1.39 . . . . 0.0 107.446 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.1 tpp -63.62 -25.97 68.46 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -75.11 -30.72 60.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.124 -0.985 . . . . 0.0 109.445 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -87.86 -30.14 20.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.6 tp -88.75 -53.02 4.82 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.396 -0.815 . . . . 0.0 110.945 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 60.8 t0 -56.34 105.68 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.681 -1.262 . . . . 0.0 109.656 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -90.36 -43.97 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -75.93 -4.95 43.83 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.39 45.44 95.93 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.259 -1.936 . . . . 0.0 108.259 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 45.4 p30 -97.91 -6.31 32.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.387 -1.066 . . . . 0.0 109.965 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.32 8.88 84.14 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -138.35 172.59 12.68 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 69' ' ' ASP . 15.1 m -122.34 93.33 3.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.46 -0.775 . . . . 0.0 110.595 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -52.15 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.4 OUTLIER -74.68 -29.67 61.3 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.279 -1.513 . . . . 0.0 110.747 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -66.23 -47.81 72.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.116 -0.99 . . . . 0.0 111.55 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.02 -30.92 19.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.423 -1.423 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.6 t80 -52.92 -48.37 67.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.548 -1.345 . . . . 0.0 107.926 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.53 68.84 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.4 -18.34 1.59 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.999 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . 84.8 t80 -67.73 -56.19 10.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 62.1 t -53.95 -29.63 18.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 CA-C-O 122.042 0.925 . . . . 0.0 108.768 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' OG1' ' A' ' 82' ' ' THR . 7.0 t -69.24 -34.45 74.82 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.372 -0.83 . . . . 0.0 109.856 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.2 mtp -77.54 -29.49 52.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.49 -0.756 . . . . 0.0 110.0 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.55 -32.51 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 99.3 m -74.67 -35.86 62.81 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 78' ' ' SER . 7.8 p -68.69 -39.29 80.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.816 -1.178 . . . . 0.0 110.086 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.72 77.97 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.838 -1.164 . . . . 0.0 108.29 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.25 -17.06 64.19 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.936 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.622 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 53.7 t60 -105.45 -35.5 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.415 -0.803 . . . . 0.0 109.708 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.52 -35.36 75.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.005 -1.059 . . . . 0.0 109.152 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -73.03 -42.52 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.313 -0.867 . . . . 0.0 109.175 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.215 -0.928 . . . . 0.0 109.014 179.445 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.679 0.752 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -71.66 -21.42 61.81 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 111.221 -178.647 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -70.68 -33.86 71.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.377 -1.452 . . . . 0.0 108.984 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.19 -45.43 66.66 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.584 -0.698 . . . . 0.0 109.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.19 -55.76 27.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 110.811 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -57.62 -37.52 73.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.984 -1.072 . . . . 0.0 108.979 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -68.14 -54.5 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.009 -1.057 . . . . 0.0 109.404 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.66 68.42 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.597 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' B' ' 14' ' ' PHE . 1.3 mt -79.46 -49.3 12.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.077 -1.014 . . . . 0.0 110.198 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mm -45.6 -36.73 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.039 -1.038 . . . . 0.0 109.142 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.21 -50.96 42.53 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.227 -0.92 . . . . 0.0 109.087 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.88 -26.48 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -70.49 -43.98 68.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.995 -1.066 . . . . 0.0 109.642 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.622 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -78.57 -40.39 34.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.942 -1.099 . . . . 0.0 110.69 -178.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.21 -41.81 89.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.787 -1.196 . . . . 0.0 110.163 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.42 -56.33 3.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.892 -1.13 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -58.51 -27.05 64.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.883 -1.136 . . . . 0.0 108.667 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -94.15 0.23 66.28 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -63.1 -46.16 88.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.942 -1.329 . . . . 0.0 108.567 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 0.0 OUTLIER -160.66 153.54 21.24 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 117.92 -170.82 13.75 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -47.31 -69.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 0.0 109.406 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -9.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 108.951 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.28 61.84 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.437 -1.414 . . . . 0.0 110.62 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -137.01 147.31 46.17 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.07 128.62 45.24 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.259 -0.901 . . . . 0.0 110.675 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.96 161.21 16.08 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.577 ' HZ1' ' CB ' ' B' ' 29' ' ' LYS . 8.8 mtmp? -47.05 -42.02 17.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.08 -1.012 . . . . 0.0 109.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.457 ' H ' ' HG ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -54.09 -18.78 4.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.046 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.0 mt-10 -99.83 -35.52 9.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.226 -0.921 . . . . 0.0 108.678 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -55.64 11.68 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.352 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.18 -33.8 75.12 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.977 -1.077 . . . . 0.0 109.752 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.47 -32.9 54.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.019 -1.051 . . . . 0.0 109.811 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 18.7 tp -69.9 -35.88 74.95 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -69.21 -40.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.605 -0.684 . . . . 0.0 110.358 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 69.2 m-80 -82.43 -24.62 34.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.007 -1.058 . . . . 0.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -91.15 -45.46 8.65 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.709 -1.244 . . . . 0.0 112.502 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.602 ' C ' ' H ' ' B' ' 41' ' ' SER . 32.0 tt0 -110.24 -60.17 1.84 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.835 -1.166 . . . . 0.0 110.266 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.59 28.83 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.953 -1.092 . . . . 0.0 108.382 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.602 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -87.78 -17.0 32.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.065 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . 0.687 ' HD1' ' N ' ' B' ' 43' ' ' PHE . 1.3 p80 -89.57 -27.09 20.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.944 -1.097 . . . . 0.0 109.605 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.687 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.2 m-85 -106.92 -47.11 3.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.15 135.16 33.4 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.956 -1.09 . . . . 0.0 108.803 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 47' ' ' ILE . 83.8 mt-10 -50.26 135.43 21.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.323 -0.861 . . . . 0.0 110.132 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 9.9 mp0 -54.64 82.72 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.583 -0.698 . . . . 0.0 109.85 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 45' ' ' GLU . 7.8 mt -59.26 125.53 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 0.0 108.962 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -115.71 -15.35 11.36 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -105.15 149.87 25.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.3 mt-30 -86.72 -26.24 24.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.159 -0.963 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 50' ' ' GLN . 58.6 mm-40 -41.95 -39.4 1.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.531 -0.73 . . . . 0.0 110.86 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.12 -38.59 42.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.69 -23.87 31.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' B' ' 50' ' ' GLN . 84.2 m-20 -77.46 -35.44 53.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -81.97 -44.29 16.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.516 -0.74 . . . . 0.0 109.245 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -37.35 59.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.508 -1.37 . . . . 0.0 107.426 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.45 -26.05 68.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.294 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -75.0 -30.69 61.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.141 -0.975 . . . . 0.0 109.508 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -88.12 -30.05 20.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.282 -0.886 . . . . 0.0 109.342 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.83 -53.31 4.67 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 60.7 t0 -56.06 105.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.682 -1.261 . . . . 0.0 109.584 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -90.42 -43.77 10.07 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 0.4 OUTLIER -76.16 -4.82 43.75 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.46 95.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.9 p30 -97.95 -6.3 32.45 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.328 -1.101 . . . . 0.0 109.996 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 8.38 83.51 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -137.97 172.82 12.37 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 13.9 m -122.28 93.34 3.95 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.319 -0.863 . . . . 0.0 110.598 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.8 OUTLIER -52.16 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.42 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.4 OUTLIER -74.81 -29.62 61.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.315 -1.491 . . . . 0.0 110.785 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -66.12 -47.84 72.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 111.605 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -87.96 -31.07 19.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.337 -1.477 . . . . 0.0 109.094 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.7 t80 -52.82 -48.41 66.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.512 -1.367 . . . . 0.0 107.905 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.57 68.83 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.34 -18.26 1.52 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.997 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' B' ' 73' ' ' PHE . 84.9 t80 -67.7 -56.03 10.87 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' B' ' 81' ' ' THR . 58.0 t -54.19 -29.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.989 0.899 . . . . 0.0 108.7 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 70' ' ' PHE . 7.2 t -69.48 -34.09 73.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.374 -0.829 . . . . 0.0 109.917 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtp -77.59 -29.55 52.05 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.459 -0.775 . . . . 0.0 110.034 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.61 -32.39 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.5 m -74.63 -35.51 62.89 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 78' ' ' SER . 7.6 p -69.04 -39.25 79.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.868 -1.145 . . . . 0.0 110.086 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.7 77.82 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 55.2 m -65.45 -17.08 64.27 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.864 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.637 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 52.7 t60 -105.17 -35.49 7.57 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 109.819 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.39 -35.64 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.049 -1.032 . . . . 0.0 109.156 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.96 -42.47 63.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.394 -0.816 . . . . 0.0 109.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.079 -1.013 . . . . 0.0 108.934 179.593 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.179 0.514 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -22.68 64.17 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.087 -1.008 . . . . 0.0 111.054 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -73.31 -35.28 66.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.755 -1.216 . . . . 0.0 109.988 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -67.47 -45.5 75.75 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.083 -1.011 . . . . 0.0 109.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.45 75.23 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.278 -0.889 . . . . 0.0 109.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 ttm -59.77 -35.89 75.55 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.461 -0.774 . . . . 0.0 110.243 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.21 -40.91 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.873 -1.142 . . . . 0.0 108.773 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.59 74.16 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.515 -0.741 . . . . 0.0 109.812 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -78.63 -46.7 18.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.874 -1.141 . . . . 0.0 109.936 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -45.74 -30.45 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.09 -1.006 . . . . 0.0 109.093 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.19 -50.86 17.43 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.322 -0.861 . . . . 0.0 108.796 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.23 -26.94 21.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m-85 -71.23 -49.18 46.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.953 -1.092 . . . . 0.0 110.002 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' NE2' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -76.31 -32.23 58.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.92 -1.112 . . . . 0.0 110.353 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.75 -41.81 82.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.025 -1.047 . . . . 0.0 110.551 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -86.12 -58.09 2.77 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.836 -1.165 . . . . 0.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.62 -27.04 4.12 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.911 -1.118 . . . . 0.0 108.976 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.23 3.33 54.79 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -58.65 -42.74 89.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.575 -1.544 . . . . 0.0 108.981 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.09 171.1 9.83 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.77 -125.04 7.11 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -80.44 -167.59 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -1.164 . . . . 0.0 109.63 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -88.68 -14.88 36.26 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 0.0 110.529 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.8 66.51 0.12 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.492 -1.38 . . . . 0.0 111.103 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -143.48 149.89 38.18 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -95.89 123.68 39.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.197 -0.939 . . . . 0.0 110.641 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 156.84 20.85 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 16.6 mttm -47.78 -45.56 29.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.708 -1.245 . . . . 0.0 109.725 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -50.71 -17.98 0.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.008 . . . . 0.0 109.108 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 35' ' ' LEU . 78.3 mt-10 -101.53 -39.27 7.59 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -49.61 68.6 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 109.145 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -37.03 79.26 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.044 -1.035 . . . . 0.0 108.612 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.54 -30.93 53.02 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' GLU . 21.8 tp -70.37 -37.58 74.58 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -69.05 -39.39 79.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 109.772 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.525 ' N ' HD21 ' A' ' 37' ' ' ASN . 1.7 m120 -79.02 -22.78 44.95 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 110.938 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.35 -20.14 19.37 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.794 -1.191 . . . . 0.0 112.789 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -129.99 -53.26 1.13 Allowed 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.75 -1.219 . . . . 0.0 110.379 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.6 mm? -85.89 31.44 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.012 -1.055 . . . . 0.0 108.657 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -83.18 -19.63 36.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.997 -1.064 . . . . 0.0 108.697 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.69 -21.97 28.08 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.2 -49.6 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.08 131.06 47.17 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.233 -0.917 . . . . 0.0 109.387 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.07 145.65 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 109.482 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 53.3 mp0 -62.57 107.09 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.267 -0.896 . . . . 0.0 109.572 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 pt -67.85 126.16 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.597 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.45 -13.44 18.7 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -119.2 120.55 37.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' VAL . 12.0 pt20 -59.54 -19.81 51.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLN . 73.3 mt-10 -41.33 -42.03 2.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.996 -1.065 . . . . 0.0 111.445 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.62 -35.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.759 -1.213 . . . . 0.0 108.024 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.26 -23.83 32.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -78.42 -35.93 46.35 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -74.66 -53.56 9.09 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.241 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.26 -38.61 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 66' ' ' GLY . 33.9 ttm -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.3 tm-20 -74.29 -37.61 63.62 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -76.91 -31.66 56.86 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.642 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 4.5 mm? -90.57 -45.64 8.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.158 -0.964 . . . . 0.0 110.469 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 62.8 t0 -56.13 98.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.509 -1.369 . . . . 0.0 109.533 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -90.44 -37.5 13.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 32.0 p-10 -80.55 -4.85 55.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.76 45.67 87.5 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 67' ' ' GLU . 23.2 p30 -99.61 -5.87 28.3 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.496 -1.003 . . . . 0.0 109.912 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.502 ' O ' ' SD ' ' A' ' 57' ' ' MET . . . 69.19 0.57 22.27 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.053 -2.019 . . . . 0.0 108.053 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' ASP . 98.7 mt-10 -128.26 173.56 10.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 69' ' ' ASP . 2.6 m -127.05 94.24 3.97 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.222 -0.924 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.0 p-10 -50.73 -171.63 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.0 -30.49 44.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.607 -1.308 . . . . 0.0 111.461 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -75.65 -36.5 60.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.939 -1.101 . . . . 0.0 110.049 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 11.9 tt0 -85.57 -37.32 19.72 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.999 -1.063 . . . . 0.0 108.351 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 1.2 t80 -52.83 -46.74 67.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 108.703 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -43.64 78.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.49 -19.89 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.485 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -73.65 -55.26 6.51 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.828 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.95 -28.6 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 82' ' ' THR . 7.2 t -67.1 -34.54 77.86 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.8 -34.2 60.17 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.811 -0.556 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -31.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.503 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 55.1 m -73.24 -35.12 66.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' SER . 17.6 p -75.15 -36.44 61.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.999 -1.063 . . . . 0.0 111.172 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.85 91.69 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.447 -1.408 . . . . 0.0 108.525 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 81' ' ' THR . 23.3 p -66.32 -10.51 43.48 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.532 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.502 ' NE2' ' ND1' ' B' ' 15' ' ' HIS . 49.2 t60 -98.54 -38.08 9.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.455 -0.778 . . . . 0.0 109.341 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.63 -50.49 57.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.227 -0.921 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.24 -43.22 78.45 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 108.889 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.432 179.785 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.196 0.522 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -22.59 64.0 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.138 -0.976 . . . . 0.0 111.107 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -73.48 -35.21 65.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.65 -1.281 . . . . 0.0 109.969 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.37 -45.53 76.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.162 -0.961 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.665 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.1 -35.88 76.18 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.615 -0.678 . . . . 0.0 110.194 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.12 -40.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.827 -1.171 . . . . 0.0 108.809 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.72 74.32 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.57 -46.67 18.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.855 -1.153 . . . . 0.0 109.963 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mm -45.75 -30.46 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.101 -0.999 . . . . 0.0 108.994 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -74.1 -50.98 17.11 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.221 -0.925 . . . . 0.0 108.821 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 t -74.13 -26.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.255 -0.903 . . . . 0.0 109.394 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.5 m-85 -71.19 -49.15 46.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.929 -1.107 . . . . 0.0 110.081 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.502 ' ND1' ' NE2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.45 -32.14 58.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.071 . . . . 0.0 110.313 -178.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.81 -41.85 82.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.997 -1.065 . . . . 0.0 110.535 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -86.18 -57.96 2.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 109.845 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.43 ' H ' ' HG ' ' B' ' 18' ' ' SER . 3.7 m -49.72 -27.01 4.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.943 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.12 3.1 55.1 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -58.64 -42.7 88.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.603 -1.527 . . . . 0.0 109.002 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.05 171.01 9.95 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.826 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.02 -125.11 7.18 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 0.5 OUTLIER -80.43 -167.39 1.32 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.335 -1.097 . . . . 0.0 109.592 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -88.92 -14.95 35.54 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.34 -0.85 . . . . 0.0 110.435 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.64 66.57 0.12 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.607 -1.308 . . . . 0.0 111.017 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -143.55 149.88 38.07 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.2 tt -95.9 123.58 39.55 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.212 -0.93 . . . . 0.0 110.613 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 156.9 20.64 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.469 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 16.6 mttm -47.93 -45.39 30.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 0.0 109.709 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -50.78 -17.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 109.08 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 35' ' ' LEU . 77.9 mt-10 -101.62 -39.47 7.46 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -49.34 69.78 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.252 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -36.95 78.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.982 -1.074 . . . . 0.0 108.617 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.51 -30.88 53.16 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.793 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.1 tp -70.36 -37.6 74.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -69.14 -39.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.726 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.522 HD21 ' N ' ' B' ' 37' ' ' ASN . 1.7 m120 -79.15 -22.72 44.66 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.385 -0.822 . . . . 0.0 110.923 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -95.41 -20.07 19.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.757 -1.215 . . . . 0.0 112.823 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.96 -53.26 1.13 Allowed 'General case' 0 N--CA 1.509 2.511 0 O-C-N 120.62 -1.3 . . . . 0.0 110.406 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.6 mm? -85.89 31.56 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.079 -1.013 . . . . 0.0 108.596 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -83.25 -19.91 35.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.993 -1.067 . . . . 0.0 108.645 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.64 -21.86 28.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -107.25 -49.46 3.26 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -101.29 130.88 47.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.35 -0.844 . . . . 0.0 109.382 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.11 145.67 25.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 52.9 mp0 -62.46 107.13 0.87 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.196 -0.94 . . . . 0.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 pt -67.84 125.97 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.594 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -100.33 -13.51 18.78 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -119.18 120.55 37.41 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 53' ' ' VAL . 12.3 pt20 -59.62 -19.69 50.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.25 -0.906 . . . . 0.0 109.958 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -41.32 -42.02 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.081 -1.012 . . . . 0.0 111.38 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.67 -35.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.735 -1.228 . . . . 0.0 107.997 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.15 -24.0 32.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.41 -35.95 46.38 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -53.81 8.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.482 -0.761 . . . . 0.0 109.104 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.21 -38.62 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 66' ' ' GLY . 33.6 ttm -61.04 -24.66 66.36 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -74.31 -37.42 63.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 108.758 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.3 m -76.95 -31.73 56.8 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 4.5 mm? -90.58 -45.57 8.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.106 -0.996 . . . . 0.0 110.401 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 62.9 t0 -56.26 98.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.505 -1.372 . . . . 0.0 109.562 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -90.22 -37.63 14.0 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.8 p-10 -80.57 -4.91 55.83 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.91 45.65 86.77 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' B' ' 67' ' ' GLU . 22.8 p30 -99.61 -5.97 28.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.408 -1.054 . . . . 0.0 109.956 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' B' ' 57' ' ' MET . . . 69.27 0.67 23.43 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -128.36 173.58 10.06 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.517 ' O ' ' O ' ' B' ' 69' ' ' ASP . 2.8 m -127.06 94.11 3.93 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.259 -0.901 . . . . 0.0 110.214 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' B' ' 68' ' ' CYS . 2.0 p-10 -50.65 -171.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -78.92 -30.53 44.8 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.641 -1.287 . . . . 0.0 111.362 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -75.75 -36.52 59.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.944 -1.098 . . . . 0.0 109.97 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 11.7 tt0 -85.5 -37.25 19.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.092 -1.005 . . . . 0.0 108.349 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 1.2 t80 -53.01 -46.59 68.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 108.645 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -43.65 79.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.52 -19.9 2.57 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.326 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -73.73 -55.17 6.58 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.734 -1.187 . . . . 0.0 108.878 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.2 t -54.86 -28.7 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.462 ' O ' ' CG2' ' B' ' 82' ' ' THR . 7.0 t -67.0 -34.57 78.04 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.73 -34.31 60.31 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.842 -0.536 . . . . 0.0 109.964 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.22 -31.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.8 m -73.53 -34.92 65.45 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' B' ' 78' ' ' SER . 17.9 p -75.22 -36.33 61.36 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.997 -1.064 . . . . 0.0 111.209 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.8 91.63 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.254 -1.529 . . . . 0.0 108.515 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 81' ' ' THR . 23.2 p -66.23 -10.65 44.01 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.141 -1.023 . . . . 0.0 108.517 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.497 ' NE2' ' ND1' ' A' ' 15' ' ' HIS . 49.0 t60 -98.36 -38.17 9.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 109.377 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.66 -50.26 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.324 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 108.849 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 109.497 179.749 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -19.89 64.55 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 109.941 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -73.25 -27.34 61.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.768 -1.208 . . . . 0.0 107.836 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -68.12 -47.0 69.33 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.33 -54.83 26.81 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.484 0.659 . . . . 0.0 109.931 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -49.91 -39.91 41.55 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.265 -0.897 . . . . 0.0 110.09 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.28 -39.17 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 109.712 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.94 71.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 109.484 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.4 mp -79.97 -48.75 12.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.021 -1.05 . . . . 0.0 110.215 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.73 -38.89 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.128 -0.983 . . . . 0.0 109.476 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.04 -51.37 47.58 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.218 -0.926 . . . . 0.0 109.502 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.49 -26.89 20.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.414 -0.804 . . . . 0.0 110.151 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 m-85 -72.63 -45.9 56.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.093 . . . . 0.0 109.983 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -75.71 -32.7 60.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.897 -1.127 . . . . 0.0 110.393 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.91 -40.44 91.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.754 -1.216 . . . . 0.0 109.653 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 29.0 m-85 -90.35 -58.2 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.087 . . . . 0.0 109.346 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 2.2 t -55.71 -26.19 43.98 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 108.85 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.63 -1.06 62.21 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -64.36 -45.26 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.826 -1.397 . . . . 0.0 108.892 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.86 162.63 23.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.435 -0.791 . . . . 0.0 109.297 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 105.65 -143.24 15.67 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 25' ' ' HIS . 26.1 t0 -78.43 29.98 0.19 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.259 -1.142 . . . . 0.0 109.385 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' GLY . 4.2 tmtp? 66.24 -12.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.325 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' H ' ' C ' ' A' ' 23' ' ' ASP . 30.2 m-70 -152.14 47.98 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.864 -1.148 . . . . 0.0 109.751 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 18' ' ' SER . 27.8 ttmt -141.18 148.71 40.42 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -95.28 130.33 42.08 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.111 -0.993 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -110.9 159.52 17.62 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 176.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -45.76 -47.81 15.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.854 -1.153 . . . . 0.0 109.804 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.9 -19.99 2.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -97.8 -28.94 13.64 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.234 -0.916 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -53.57 6.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.181 -0.95 . . . . 0.0 109.649 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -67.96 -35.39 78.3 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 109.489 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -76.9 -31.53 56.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.035 -1.04 . . . . 0.0 109.746 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.5 tp -73.63 -33.92 64.77 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.962 -1.087 . . . . 0.0 108.598 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.16 -41.21 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.525 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.05 -22.93 36.14 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.247 -0.908 . . . . 0.0 111.41 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -88.96 -45.76 9.42 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.362 -1.462 . . . . 0.0 112.217 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.07 -46.64 3.86 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.9 -1.125 . . . . 0.0 110.675 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.42 32.22 0.72 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.937 -1.102 . . . . 0.0 109.779 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -15.86 38.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.843 -1.161 . . . . 0.0 110.175 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.1 -30.35 14.7 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.08 -1.012 . . . . 0.0 110.262 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.99 -58.56 1.85 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.205 -0.935 . . . . 0.0 109.031 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -79.94 138.42 37.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 47' ' ' ILE . 50.1 mt-10 -49.06 130.15 18.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.209 -0.932 . . . . 0.0 110.281 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.95 84.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.7 mt -55.36 129.49 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 108.797 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -115.36 -18.64 10.98 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.41 152.21 21.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.408 -0.807 . . . . 0.0 109.253 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' VAL . 2.8 pt20 -92.8 -29.3 16.07 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.06 -1.025 . . . . 0.0 110.396 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -44.92 -33.82 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.28 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.48 -37.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.78 -24.39 34.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.7 -34.1 52.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -78.88 -49.37 12.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.585 -0.697 . . . . 0.0 109.572 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -53.18 -40.22 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.736 -1.227 . . . . 0.0 108.06 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.7 mmm -59.38 -31.95 69.69 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.21 -36.95 85.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.871 . . . . 0.0 109.155 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -81.27 -32.21 33.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.401 -0.812 . . . . 0.0 109.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.2 -48.33 6.24 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.258 -0.901 . . . . 0.0 111.242 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.7 t0 -56.02 104.12 0.13 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.227 -1.546 . . . . 0.0 109.197 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' CD ' HE22 ' A' ' 71' ' ' GLN . 10.3 pt-20 -90.98 -44.34 9.39 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p30 -75.21 -3.75 34.88 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.15 44.86 94.62 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.946 -2.062 . . . . 0.0 107.946 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 21.2 p30 -96.2 -3.76 43.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.582 -0.952 . . . . 0.0 109.196 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.46 0.31 62.22 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.007 -2.037 . . . . 0.0 108.007 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 43.9 mt-10 -125.2 170.56 11.13 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 65.7 m -122.96 91.49 3.5 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.437 -0.79 . . . . 0.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 34.0 t0 -49.76 178.46 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -72.56 -29.3 63.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.055 . . . . 0.0 111.02 -179.314 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.484 HE22 ' CD ' ' A' ' 62' ' ' GLU . 2.0 pp0? -73.36 -37.86 65.9 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.747 -1.22 . . . . 0.0 111.275 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 5.9 pt-20 -89.52 -35.36 15.98 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.381 -1.449 . . . . 0.0 108.312 178.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.407 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -51.31 -45.29 62.16 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -60.5 -45.14 94.85 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.31 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.57 -20.26 1.87 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.468 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.85 -51.1 13.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.053 -1.029 . . . . 0.0 108.733 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.47 -37.3 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.152 -0.968 . . . . 0.0 109.003 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -67.03 -31.05 71.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.284 -0.885 . . . . 0.0 109.117 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -71.54 -26.23 62.55 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -86.52 -34.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -72.99 -35.59 66.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 p -65.05 -40.35 94.64 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.573 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.9 92.72 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.956 -1.09 . . . . 0.0 108.546 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -66.85 -17.72 65.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -103.45 -35.54 8.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.538 -0.726 . . . . 0.0 109.527 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -76.7 -46.01 27.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.336 -0.853 . . . . 0.0 111.15 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.27 -41.48 94.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.905 -1.122 . . . . 0.0 110.055 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 120.952 -1.093 . . . . 0.0 109.752 -179.792 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.537 0.684 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -19.75 64.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.166 -0.959 . . . . 0.0 109.752 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -73.18 -27.7 61.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.699 -1.25 . . . . 0.0 107.993 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -67.93 -47.11 69.63 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.82 -54.26 33.99 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.239 0.542 . . . . 0.0 110.098 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.5 mtt -50.33 -39.41 46.04 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.945 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.19 -38.65 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.982 -1.073 . . . . 0.0 109.577 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.33 70.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.216 -0.927 . . . . 0.0 109.536 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.1 mp -79.77 -48.87 12.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mt -46.12 -38.54 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.97 -1.081 . . . . 0.0 109.494 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -68.31 -51.13 48.17 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.62 -26.81 20.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.7 m-85 -72.6 -46.15 55.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.063 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.21 -32.59 61.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 110.47 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.22 -40.9 90.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.806 -1.184 . . . . 0.0 109.624 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 28.9 m-85 -90.22 -58.03 2.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.921 -1.112 . . . . 0.0 109.354 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 2.8 t -56.01 -26.48 48.91 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.916 -1.115 . . . . 0.0 108.926 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.65 -0.48 62.52 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -64.23 -45.62 87.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.839 -1.389 . . . . 0.0 108.641 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.21 161.48 22.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.527 -0.733 . . . . 0.0 109.292 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 107.47 -143.33 15.91 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 25' ' ' HIS . 26.2 t0 -78.58 29.05 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -1.136 . . . . 0.0 109.44 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' B' ' 22' ' ' GLY . 3.8 tmtp? 67.14 -12.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 109.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.544 ' H ' ' C ' ' B' ' 23' ' ' ASP . 33.6 m-70 -152.26 47.93 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.949 -1.094 . . . . 0.0 109.499 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' B' ' 18' ' ' SER . 27.7 ttmt -141.34 148.95 40.51 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.79 129.95 42.86 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.041 -1.037 . . . . 0.0 110.761 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -110.59 159.03 17.93 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 28' ' ' LYS . 37.6 mttm -45.44 -47.85 13.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.815 -1.178 . . . . 0.0 109.577 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -52.16 -19.81 2.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.113 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 28' ' ' LYS . 60.6 mt-10 -97.82 -28.24 13.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.121 -0.987 . . . . 0.0 109.283 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -54.21 6.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.251 -0.906 . . . . 0.0 109.603 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.0 -1.063 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.07 -31.34 55.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.941 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.81 -34.54 64.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 108.589 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.404 HG22 HD13 ' B' ' 36' ' ' ILE . 65.3 mt -66.37 -41.41 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.554 -0.716 . . . . 0.0 109.449 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -81.94 -23.28 36.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.406 -0.809 . . . . 0.0 111.528 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -88.86 -45.64 9.57 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.388 -1.445 . . . . 0.0 112.232 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -106.97 -46.8 3.84 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.917 -1.115 . . . . 0.0 110.793 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 31.58 0.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.959 -1.088 . . . . 0.0 109.845 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -15.96 39.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.975 -1.078 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -94.31 -31.05 14.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.933 -1.104 . . . . 0.0 110.115 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.01 -59.06 1.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.071 -1.018 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.58 138.84 37.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.019 -1.051 . . . . 0.0 108.688 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 47' ' ' ILE . 47.6 mt-10 -49.07 130.12 18.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.065 -1.022 . . . . 0.0 110.374 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.37 84.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.972 . . . . 0.0 109.477 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' B' ' 45' ' ' GLU . 5.5 mt -55.64 129.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -115.32 -18.06 11.15 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.68 151.97 21.39 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.739 . . . . 0.0 109.26 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' B' ' 53' ' ' VAL . 3.2 pt20 -92.71 -29.19 16.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.212 -0.93 . . . . 0.0 110.329 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -45.34 -33.53 2.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 110.112 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.57 -37.79 44.45 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -65.71 -23.83 33.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -78.5 -33.72 47.95 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -79.23 -49.34 12.66 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.37 -40.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.773 -1.205 . . . . 0.0 108.162 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.576 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.8 mmm -59.68 -31.48 69.6 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.16 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -65.26 -36.29 83.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 0.0 109.085 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -82.04 -31.58 30.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.44 -0.787 . . . . 0.0 109.754 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 60' ' ' LEU . 4.4 mm? -94.61 -48.64 5.99 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.275 -0.891 . . . . 0.0 111.35 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.2 t0 -55.77 104.2 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.251 -1.53 . . . . 0.0 109.107 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.536 ' CD ' HE22 ' B' ' 71' ' ' GLN . 10.0 pt-20 -90.91 -44.55 9.3 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' B' ' 62' ' ' GLU . 1.3 p30 -74.61 -4.88 39.75 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.98 44.99 95.83 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 23.6 p30 -96.28 -3.8 43.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.575 -0.956 . . . . 0.0 109.218 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -0.09 62.78 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.0 mt-10 -125.03 169.88 11.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.576 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 63.3 m -122.15 91.79 3.58 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 109.984 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 32.2 t0 -49.99 179.16 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -73.21 -29.0 62.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.12 -0.988 . . . . 0.0 110.852 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.536 HE22 ' CD ' ' B' ' 62' ' ' GLU . 1.9 pp0? -73.8 -38.12 64.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.955 -1.091 . . . . 0.0 110.932 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 5.2 pt-20 -89.19 -35.28 16.31 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.224 -1.547 . . . . 0.0 108.301 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -51.41 -45.27 62.5 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 178.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.66 -20.08 1.88 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.565 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -75.91 -50.78 14.02 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.074 -1.016 . . . . 0.0 108.693 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.86 -36.96 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.12 -0.987 . . . . 0.0 109.085 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -31.72 72.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.248 -0.908 . . . . 0.0 109.154 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.6 ttp -70.9 -27.09 63.53 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.13 -34.78 8.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -73.29 -35.42 66.12 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.3 p -65.35 -40.55 93.77 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.678 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.2 90.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.13 . . . . 0.0 108.546 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.03 -16.28 63.97 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.038 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -103.7 -36.15 7.98 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.434 -0.791 . . . . 0.0 109.439 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.64 -45.4 30.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 111.254 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -66.3 -40.82 90.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.822 -1.174 . . . . 0.0 109.98 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.075 . . . . 0.0 109.538 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.66 -19.43 62.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.321 -0.862 . . . . 0.0 110.499 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -36.19 73.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.8 -1.187 . . . . 0.0 109.029 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.48 -47.33 49.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -56.13 25.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.306 -0.871 . . . . 0.0 110.604 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' B' ' 80' ' ' VAL . 13.1 mtm -53.2 -37.61 62.12 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.334 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 t -69.97 -48.67 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.0 109.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -35.35 64.81 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 110.193 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.8 mp -79.35 -46.22 18.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 mm -44.64 -48.61 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.509 -1.369 . . . . 0.0 109.822 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.11 -48.35 73.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.005 -1.06 . . . . 0.0 109.561 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 t -70.93 -26.74 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.317 -0.865 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 33.9 t80 -72.37 -50.7 24.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 109.564 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.624 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -75.67 -30.68 59.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.885 . . . . 0.0 110.36 -178.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.17 -45.69 83.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.001 -1.062 . . . . 0.0 110.104 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -84.91 -55.56 4.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.962 -1.086 . . . . 0.0 109.301 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.0 p -52.9 -27.47 18.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.029 -1.044 . . . . 0.0 108.437 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.87 61.91 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 34' ' ' GLU . 44.3 ttt85 -63.41 -44.32 94.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.73 -1.453 . . . . 0.0 109.336 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.1 170.87 19.58 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.665 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.51 -175.46 2.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -44.41 105.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.665 -0.903 . . . . 0.0 109.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 88.8 mttt -52.54 169.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.421 -0.799 . . . . 0.0 109.887 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 8.2 m-70 69.12 3.78 4.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.5 -0.75 . . . . 0.0 111.275 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.9 145.23 50.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.4 tt -93.89 125.18 38.36 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.691 -0.631 . . . . 0.0 109.735 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.6 mtmp? -110.54 157.97 19.06 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.575 -0.703 . . . . 0.0 110.006 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' CB ' ' HZ3' ' A' ' 29' ' ' LYS . 3.9 ttpm? -48.96 -45.41 41.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.851 -1.156 . . . . 0.0 109.139 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -57.48 -20.25 29.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.137 -0.977 . . . . 0.0 108.613 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LYS . 87.2 mt-10 -98.92 -26.05 14.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.2 -58.62 2.98 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -36.17 82.44 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.925 -1.109 . . . . 0.0 109.566 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' A' ' 20' ' ' ARG . 82.7 tt0 -73.76 -30.52 62.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.973 -1.08 . . . . 0.0 109.37 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.02 -34.71 61.93 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mm -60.03 -45.87 94.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.684 0.754 . . . . 0.0 109.451 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.24 -22.18 42.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.66 -0.65 . . . . 0.0 111.797 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.79 -43.98 7.98 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.754 -1.216 . . . . 0.0 112.97 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' A' ' 41' ' ' SER . 4.9 tp10 -108.47 -63.48 1.33 Allowed 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.756 -1.215 . . . . 0.0 110.5 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.6 mm? -72.09 30.09 0.05 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.822 -1.174 . . . . 0.0 108.639 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.579 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -92.08 -16.81 25.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.986 -1.071 . . . . 0.0 110.403 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.31 -22.87 20.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.707 -1.245 . . . . 0.0 110.144 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.15 -22.53 11.38 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.419 -0.801 . . . . 0.0 109.117 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.05 135.41 50.92 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -48.91 135.35 15.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.962 . . . . 0.0 109.45 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -56.32 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 110.196 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 47' ' ' ILE . 40.4 mt -70.73 124.39 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 108.76 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -111.12 -14.72 13.84 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 29.2 mp0 -109.6 133.66 52.85 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' VAL . 31.5 mt-30 -69.08 -19.79 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.149 -0.969 . . . . 0.0 109.489 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -40.59 -42.54 1.71 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.448 -0.782 . . . . 0.0 111.114 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -37.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 50' ' ' GLN . 41.0 t -67.67 -23.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.0 m-20 -77.82 -34.8 51.83 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -84.7 -40.54 17.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.733 -0.604 . . . . 0.0 109.453 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -38.5 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.707 -1.246 . . . . 0.0 108.44 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.8 mtp -64.64 -33.24 75.47 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.385 -0.822 . . . . 0.0 108.824 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.46 -33.74 74.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.405 -0.81 . . . . 0.0 109.222 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -83.0 -28.09 29.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.387 -0.821 . . . . 0.0 109.731 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.0 -46.23 6.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 110.198 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 48.6 t0 -55.88 102.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.351 . . . . 0.0 108.798 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.05 -43.45 10.5 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.8 p30 -76.06 -3.02 33.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 42.82 93.55 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.8 p-10 -92.56 -5.63 51.28 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.546 -0.973 . . . . 0.0 109.215 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.57 2.83 90.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 27.2 mt-10 -135.29 169.52 17.35 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' ASP . 1.6 m -120.77 95.41 4.7 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 15.8 m-20 -54.05 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.622 ' CE2' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -68.88 -60.61 2.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.067 -1.021 . . . . 0.0 110.636 -179.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.6 -39.77 5.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.174 -0.954 . . . . 0.0 112.262 -177.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 4.4 pt-20 -90.43 -37.46 13.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.179 -1.576 . . . . 0.0 108.875 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.5 t80 -53.26 -44.33 68.12 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.577 -1.327 . . . . 0.0 108.054 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 0.1 OUTLIER -59.13 -44.66 92.06 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.19 -21.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.181 -1.008 . . . . 0.0 109.398 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -76.13 -49.77 16.45 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.954 -1.099 . . . . 0.0 108.336 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 81' ' ' THR . 97.6 t -55.96 -40.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.502 -0.749 . . . . 0.0 109.501 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -69.0 -24.67 64.25 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 ttt -73.16 -31.16 64.08 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' SD ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -86.49 -33.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 13.8 m -65.4 -40.31 93.26 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 78' ' ' SER . 17.6 p -58.85 -42.47 89.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.073 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.59 82.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.689 -1.257 . . . . 0.0 108.105 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.36 -16.37 60.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.597 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 7.1 t-160 -99.47 -34.76 10.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.387 -0.821 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -76.52 -36.08 57.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.547 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -65.65 -52.76 49.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.458 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.343 -0.848 . . . . 0.0 109.525 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.7 -19.51 62.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -0.808 . . . . 0.0 110.507 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -35.98 73.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.695 -1.253 . . . . 0.0 108.992 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.61 -47.29 48.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.508 -0.745 . . . . 0.0 109.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.32 23.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.839 . . . . 0.0 110.583 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 80' ' ' VAL . 12.9 mtm -53.09 -37.74 61.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.201 -0.937 . . . . 0.0 109.294 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.96 -48.56 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.225 -0.922 . . . . 0.0 109.047 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.22 65.18 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.625 -0.672 . . . . 0.0 110.226 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' B' ' 14' ' ' PHE . 6.9 mp -79.37 -46.15 18.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.854 -1.154 . . . . 0.0 111.061 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -44.62 -48.72 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.487 -1.383 . . . . 0.0 109.847 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.0 -48.36 74.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -70.97 -26.67 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 0.0 109.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 33.7 t80 -72.52 -50.45 25.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 109.601 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.597 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -75.72 -30.76 59.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.289 -178.46 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.14 -45.65 84.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.016 -1.053 . . . . 0.0 110.098 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -85.04 -55.49 4.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.008 -1.057 . . . . 0.0 109.291 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -52.84 -27.45 18.35 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.049 -1.032 . . . . 0.0 108.469 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.43 3.93 61.75 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' B' ' 34' ' ' GLU . 44.2 ttt85 -63.48 -44.44 94.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.752 -1.44 . . . . 0.0 109.22 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.01 170.87 19.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.658 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.46 -175.48 2.47 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -44.34 105.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.706 -0.879 . . . . 0.0 109.916 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.42 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 88.5 mttt -52.52 168.94 0.09 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.43 -0.794 . . . . 0.0 109.882 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.42 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 8.3 m-70 69.2 3.71 4.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.78 145.16 50.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.116 -0.99 . . . . 0.0 108.966 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.4 tt -93.78 125.17 38.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.647 -0.658 . . . . 0.0 109.757 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.51 157.99 19.02 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.614 -0.679 . . . . 0.0 109.958 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HZ1' ' CB ' ' B' ' 29' ' ' LYS . 3.9 ttpm? -48.92 -45.48 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.818 -1.176 . . . . 0.0 109.088 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 m -57.48 -20.07 28.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 28' ' ' LYS . 87.6 mt-10 -99.03 -26.12 14.34 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -58.75 2.93 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.226 -0.921 . . . . 0.0 109.145 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -36.3 82.67 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 120.891 -1.131 . . . . 0.0 109.486 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 82.8 tt0 -73.76 -30.5 62.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 35.3 tp -75.01 -34.8 61.97 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.97 -45.84 94.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 121.68 0.752 . . . . 0.0 109.571 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.26 -22.19 41.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.672 -0.642 . . . . 0.0 111.682 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.77 -43.97 7.99 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.643 -1.286 . . . . 0.0 112.928 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' B' ' 41' ' ' SER . 4.9 tp10 -108.56 -63.51 1.33 Allowed 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.677 -1.264 . . . . 0.0 110.461 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.6 mm? -72.12 30.11 0.05 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.87 -1.144 . . . . 0.0 108.706 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.569 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.06 -16.91 25.78 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.045 -1.034 . . . . 0.0 110.439 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -91.32 -22.75 20.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.779 -1.2 . . . . 0.0 110.166 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -111.12 -22.69 11.31 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -109.86 135.39 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -48.9 135.33 15.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.525 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -56.21 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 110.235 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.7 mt -70.85 124.55 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -111.25 -14.74 13.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 29.2 mp0 -109.41 133.71 52.74 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' B' ' 53' ' ' VAL . 31.4 mt-30 -69.23 -19.68 63.95 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 50' ' ' GLN . 31.7 mt-10 -40.64 -42.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 0.0 111.095 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -37.88 66.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 50' ' ' GLN . 40.2 t -67.7 -23.66 29.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.3 m-20 -77.81 -34.91 51.9 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -84.62 -40.71 17.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.678 -0.639 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -38.53 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.622 -1.299 . . . . 0.0 108.509 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 30.1 mtp -64.65 -33.28 75.58 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.4 -33.86 74.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -83.01 -28.05 29.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.405 -0.809 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.09 -46.1 6.3 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 48.5 t0 -56.03 102.43 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.39 -1.444 . . . . 0.0 108.783 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -89.95 -43.45 10.55 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 5.7 p30 -76.03 -3.04 33.61 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.22 42.8 93.57 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.7 p-10 -92.51 -5.57 51.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.613 -0.934 . . . . 0.0 109.266 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.38 2.99 89.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.4 mt-10 -135.17 169.45 17.43 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' B' ' 69' ' ' ASP . 1.6 m -120.86 95.17 4.6 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.346 -0.846 . . . . 0.0 110.29 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.491 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 15.6 m-20 -53.86 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -68.92 -60.69 2.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.049 -1.032 . . . . 0.0 110.551 -179.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -44.54 -39.91 5.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.116 -0.99 . . . . 0.0 112.126 -177.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.4 pt-20 -90.39 -37.42 14.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.192 -1.568 . . . . 0.0 108.878 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.5 t80 -53.4 -44.18 68.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.66 -1.275 . . . . 0.0 108.058 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -59.15 -44.59 92.11 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.34 -21.18 1.3 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.385 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.16 -49.62 16.77 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 118.976 -1.09 . . . . 0.0 108.286 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.419 ' O ' ' OG1' ' B' ' 81' ' ' THR . 98.5 t -56.01 -40.46 63.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.422 -0.799 . . . . 0.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.511 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -68.94 -24.79 64.31 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttt -73.24 -30.9 63.79 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' SD ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -86.56 -33.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 14.3 m -65.44 -40.26 93.07 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' B' ' 78' ' ' SER . 17.7 p -58.78 -42.6 89.39 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.67 82.71 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.752 -1.218 . . . . 0.0 108.063 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.12 -16.51 60.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.896 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.624 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 7.1 t-160 -99.48 -34.74 10.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.377 -0.827 . . . . 0.0 108.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -76.45 -36.18 58.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.334 -0.854 . . . . 0.0 109.49 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -65.67 -52.75 49.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.342 -0.849 . . . . 0.0 109.564 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.59 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.455 ' CE ' ' HZ1' ' A' ' 5' ' ' LYS . 7.8 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLU . 3.4 p -91.41 74.88 6.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 109.194 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -48.01 -31.35 5.27 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.22 -19.78 63.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.532 -0.73 . . . . 0.0 109.552 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 1' ' ' SER . 69.2 tt0 -71.16 -27.62 63.68 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HZ1' ' CE ' ' A' ' 0' ' ' MET . 24.1 mmtt -71.54 -48.3 49.5 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.22 25.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.463 0.649 . . . . 0.0 110.077 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.4 mtt -50.89 -39.19 53.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.283 -0.886 . . . . 0.0 109.78 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.02 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 8.9 mp -80.73 -49.08 11.63 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.884 -1.135 . . . . 0.0 110.921 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.74 -28.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.71 -1.244 . . . . 0.0 109.502 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.34 -49.54 12.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 0.0 109.38 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.03 -27.11 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.918 . . . . 0.0 109.195 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.5 t80 -73.15 -47.9 40.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.297 -0.877 . . . . 0.0 109.128 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -73.76 -35.37 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 110.628 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.07 -37.3 87.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.859 -1.151 . . . . 0.0 109.705 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -90.89 -58.9 2.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.051 -1.031 . . . . 0.0 109.195 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 38.3 p -54.64 -30.58 55.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.963 -1.086 . . . . 0.0 108.449 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.31 -1.0 67.02 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.61 -41.22 89.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.805 -1.409 . . . . 0.0 108.261 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.83 169.44 22.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.675 -0.64 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.75 -168.04 27.43 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.78 -68.22 0.19 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.227 -1.16 . . . . 0.0 109.087 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 7.2 mmtt -179.59 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.387 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 34.4 m-70 -153.93 47.79 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.182 . . . . 0.0 111.014 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -131.27 144.92 51.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.69 125.99 38.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.077 -1.014 . . . . 0.0 110.692 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -106.58 152.68 23.4 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 31' ' ' GLU . 2.9 ttpm? -46.88 -47.23 21.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.698 -1.251 . . . . 0.0 110.311 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.6 m -49.01 -10.79 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.096 -1.002 . . . . 0.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.06 -45.17 5.48 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -55.41 35.2 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.147 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -63.07 -39.83 95.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.776 -1.203 . . . . 0.0 109.136 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 51.4 tp10 -74.66 -31.04 61.81 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.956 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.8 tp -76.8 -31.69 57.14 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.31 -39.24 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 108.76 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -81.91 -23.92 35.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.869 -179.641 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 22.9 m-20 -99.74 -42.18 6.96 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.118 -0.989 . . . . 0.0 111.989 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 41' ' ' SER . 26.1 tp10 -100.16 -69.95 0.75 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.808 -1.183 . . . . 0.0 110.621 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.81 0.17 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.3 p -88.55 -18.01 29.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.878 -1.139 . . . . 0.0 109.802 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.05 -28.1 21.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.082 -1.011 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.02 -40.6 5.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.54 -0.725 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tp -102.67 128.18 49.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 109.19 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -55.07 140.28 38.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.677 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.1 pm0 -71.1 104.73 3.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.26 -0.9 . . . . 0.0 109.07 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.403 HG23 HD12 ' A' ' 47' ' ' ILE . 23.5 pt -64.0 135.19 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.98 -1.075 . . . . 0.0 109.755 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -97.21 -13.93 21.74 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 51' ' ' GLU . 85.9 mt-10 -123.91 123.85 41.33 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.531 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.8 mp0 -53.87 -12.23 0.53 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.131 -0.981 . . . . 0.0 108.45 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 49' ' ' GLU . 42.3 tt0 -38.34 -51.6 1.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.709 -0.619 . . . . 0.0 112.283 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -35.7 73.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.502 -1.374 . . . . 0.0 107.56 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -67.49 -23.96 30.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 178.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLN . 29.7 t0 -78.1 -34.57 50.04 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.79 -42.76 19.27 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -55.07 -44.16 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.791 -1.193 . . . . 0.0 108.282 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.9 mtt -60.25 -33.34 72.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.479 -0.763 . . . . 0.0 109.464 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.54 -27.86 67.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.959 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.8 m -92.62 -27.04 17.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.41 -0.806 . . . . 0.0 109.554 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.84 -45.71 5.37 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 34.8 t0 -55.33 111.28 0.84 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.384 -1.448 . . . . 0.0 109.671 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -89.65 -45.45 9.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 p30 -79.56 -3.05 45.18 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.45 43.27 98.93 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 107.661 -2.176 . . . . 0.0 107.661 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 50.2 p30 -92.08 -5.79 52.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.511 -0.993 . . . . 0.0 110.331 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 75.14 0.05 60.18 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -126.47 171.26 11.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' ASP . 23.4 m -127.47 94.27 3.94 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.145 -0.972 . . . . 0.0 110.652 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 68' ' ' CYS . 14.5 p30 -53.0 -169.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -78.07 -29.74 49.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.645 -1.284 . . . . 0.0 111.048 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.56 -42.55 78.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.985 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -32.03 16.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.754 -1.216 . . . . 0.0 109.353 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.67 -44.84 70.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.611 -1.305 . . . . 0.0 108.154 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -61.85 -45.16 94.98 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 177.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.93 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.6 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.15 -50.84 29.12 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 118.626 -1.23 . . . . 0.0 108.116 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.3 t -56.64 -34.17 41.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.263 -0.898 . . . . 0.0 108.751 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CB ' ' B' ' 74' ' ' MET . 0.7 OUTLIER -65.51 -33.82 76.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ttp -75.05 -25.82 58.96 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -86.68 -35.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.9 m -73.65 -33.78 64.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 78' ' ' SER . 17.1 p -68.9 -36.18 77.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.683 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.68 82.94 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.673 -1.267 . . . . 0.0 109.029 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.48 -3.34 46.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -103.25 -37.69 7.57 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.328 -0.858 . . . . 0.0 109.385 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.78 -26.2 34.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 109.234 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.55 -57.21 11.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 0.0 109.28 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.04 -29.23 70.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.237 -0.915 . . . . 0.0 109.384 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -95.53 27.82 3.24 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -69.21 100.89 1.37 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.094 -1.004 . . . . 0.0 109.159 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.456 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 tpt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.419 ' H ' ' HG ' ' B' ' 1' ' ' SER . 3.6 p -91.3 74.9 6.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 109.24 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -48.04 -31.42 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.19 -19.79 63.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.534 -0.729 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' B' ' 1' ' ' SER . 68.3 tt0 -71.22 -27.56 63.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -71.54 -48.37 49.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.4 -55.19 26.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.503 0.668 . . . . 0.0 110.176 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -50.66 -39.41 50.7 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.389 -0.82 . . . . 0.0 109.791 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.18 20.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.025 -1.047 . . . . 0.0 109.346 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.09 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.251 -0.906 . . . . 0.0 109.719 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.549 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 8.9 mp -80.72 -49.04 11.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.842 -1.161 . . . . 0.0 110.899 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' B' ' 10' ' ' LEU . 58.2 mt -45.74 -28.47 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.695 -1.253 . . . . 0.0 109.538 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.54 -49.46 12.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 109.275 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -77.11 -27.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.317 -0.864 . . . . 0.0 109.193 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' B' ' 10' ' ' LEU . 3.6 t80 -73.2 -47.86 40.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -73.86 -35.31 64.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 110.569 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.11 -37.32 87.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.827 -1.17 . . . . 0.0 109.74 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -90.86 -58.76 2.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.974 -1.079 . . . . 0.0 109.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 33.8 p -54.88 -30.29 57.72 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.005 -1.059 . . . . 0.0 108.483 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.46 -1.07 66.65 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -59.56 -41.29 89.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.848 -1.383 . . . . 0.0 108.286 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.62 169.76 21.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.606 -0.684 . . . . 0.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.48 -167.99 27.75 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -50.96 -68.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.202 -1.176 . . . . 0.0 109.025 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.523 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 7.2 mmtt -179.63 -7.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 109.36 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 35.1 m-70 -153.9 47.73 0.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.801 -1.187 . . . . 0.0 111.074 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -131.29 144.92 51.63 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.58 125.86 38.43 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.14 -0.975 . . . . 0.0 110.732 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -106.48 152.91 23.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' B' ' 31' ' ' GLU . 2.8 ttpm? -47.03 -47.29 22.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.611 -1.306 . . . . 0.0 110.254 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.9 m -48.92 -10.8 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.063 -1.023 . . . . 0.0 110.88 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -101.0 -45.33 5.44 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -55.22 37.69 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.115 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -63.25 -39.76 95.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.784 -1.197 . . . . 0.0 109.132 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.4 tp10 -74.74 -31.11 61.73 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.896 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.7 tp -76.67 -31.81 57.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.29 -39.21 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.302 -0.874 . . . . 0.0 108.81 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.6 OUTLIER -81.88 -23.85 36.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.483 -0.761 . . . . 0.0 110.902 -179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 23.6 m-20 -99.88 -42.14 6.93 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.123 -0.986 . . . . 0.0 111.938 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' B' ' 41' ' ' SER . 26.2 tp10 -100.16 -69.98 0.75 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.793 -1.192 . . . . 0.0 110.596 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 0.0 109.549 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.3 p -88.62 -18.06 28.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 109.748 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -88.0 -28.03 21.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.93 -40.87 5.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.577 -0.702 . . . . 0.0 109.372 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 tp -102.51 128.21 49.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.399 -0.813 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -55.11 140.33 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.1 pm0 -70.98 104.53 3.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.4 HG22 HD13 ' B' ' 47' ' ' ILE . 22.9 pt -63.83 135.1 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 1.1 mppt? -97.17 -13.99 21.75 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' B' ' 51' ' ' GLU . 85.1 mt-10 -123.93 123.87 41.36 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.533 ' CD ' ' H ' ' B' ' 50' ' ' GLN . 1.8 mp0 -53.82 -12.23 0.51 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.121 -0.987 . . . . 0.0 108.472 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' B' ' 49' ' ' GLU . 41.4 tt0 -38.34 -51.57 1.52 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.728 -0.608 . . . . 0.0 112.29 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -35.76 73.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 118.287 -1.365 . . . . 0.0 107.585 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.6 OUTLIER -67.45 -24.01 30.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.5 t0 -78.07 -34.57 50.26 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.76 -42.9 19.12 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -54.88 -44.22 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.87 -1.144 . . . . 0.0 108.395 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.445 ' O ' ' N ' ' B' ' 61' ' ' ASP . 20.2 mtt -60.23 -33.53 72.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 0.0 109.396 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.37 -27.99 67.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.114 -0.991 . . . . 0.0 109.009 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -92.4 -26.92 17.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 109.57 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.92 -45.78 5.32 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.304 -0.872 . . . . 0.0 110.804 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 34.6 t0 -55.27 111.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.398 -1.439 . . . . 0.0 109.788 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -89.52 -45.43 9.41 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -79.62 -3.03 45.29 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.3 43.51 98.48 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.524 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 51.5 p30 -92.23 -5.82 51.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.517 -0.99 . . . . 0.0 110.289 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 75.01 0.27 60.08 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.6 mt-10 -126.51 171.39 11.11 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' B' ' 69' ' ' ASP . 23.2 m -127.57 94.28 3.93 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.147 -0.97 . . . . 0.0 110.666 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 68' ' ' CYS . 14.8 p30 -53.07 -170.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -77.9 -29.75 50.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 111.067 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.54 -42.61 78.18 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.129 -0.982 . . . . 0.0 110.94 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.18 -31.87 16.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.694 -1.254 . . . . 0.0 109.361 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -53.82 -44.71 70.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.575 -1.328 . . . . 0.0 108.072 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -61.92 -45.32 94.23 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.2 -21.97 3.88 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.592 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -71.08 -50.84 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.68 -1.208 . . . . 0.0 108.111 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.2 t -56.67 -34.17 41.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 108.762 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.475 ' OG ' ' CB ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.621 0.724 . . . . 0.0 109.086 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.5 ttp -75.09 -25.68 58.74 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.2 t -86.67 -35.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.48 ' N ' ' O ' ' B' ' 77' ' ' VAL . 15.3 m -73.76 -33.73 64.41 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' B' ' 78' ' ' SER . 17.8 p -68.85 -36.35 78.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 110.798 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.66 83.49 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.685 -1.259 . . . . 0.0 109.005 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 16.0 p -79.72 -3.26 46.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.264 -0.898 . . . . 0.0 109.515 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -103.19 -37.83 7.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.362 -0.836 . . . . 0.0 109.371 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.73 -26.33 34.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.25 -57.37 11.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 0.0 109.366 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.93 -29.27 70.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.46 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -95.45 27.75 3.23 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.214 -0.929 . . . . 0.0 109.679 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -69.2 100.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.062 -1.024 . . . . 0.0 109.211 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.465 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 32.8 tpp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 p -78.67 79.47 5.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.061 -1.025 . . . . 0.0 109.407 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -55.44 -33.22 63.4 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.603 -0.685 . . . . 0.0 109.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 7' ' ' MET . 2.5 mt -72.67 -22.41 60.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 tp10 -76.38 -34.19 58.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.679 -1.263 . . . . 0.0 108.98 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -68.87 -46.38 68.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.987 . . . . 0.0 108.638 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.53 45.42 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 14.7 mtt -49.42 -40.61 37.09 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.568 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.64 -49.55 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.0 109.415 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.213 -0.929 . . . . 0.0 109.18 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -79.79 -53.72 6.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 0.0 110.378 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.1 mt -46.07 -33.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.218 -0.926 . . . . 0.0 109.55 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.48 -50.46 31.35 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -75.81 -26.27 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.19 -0.944 . . . . 0.0 109.117 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.2 m-85 -69.2 -53.5 19.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.24 -26.03 59.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 110.76 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.09 -40.22 82.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.562 -1.336 . . . . 0.0 110.072 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.635 ' HH ' ' ND2' ' A' ' 38' ' ' ASN . 12.7 m-85 -90.72 -54.59 3.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 109.066 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -56.62 -22.21 32.54 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.84 -1.99 59.78 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 46.3 ttt180 -61.68 -44.3 97.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.873 -1.369 . . . . 0.0 108.399 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.95 169.67 22.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.527 -0.733 . . . . 0.0 109.667 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.4 -167.98 18.31 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -49.51 -58.29 5.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.968 . . . . 0.0 109.265 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -179.66 -42.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.417 ' NE2' ' OE1' ' B' ' 89' ' ' GLU . 12.1 m-70 -133.29 58.18 1.78 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.458 -0.776 . . . . 0.0 110.496 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 18' ' ' SER . 9.0 tppt? -131.14 143.98 51.03 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 130.1 41.07 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.053 -1.029 . . . . 0.0 110.574 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 66.9 mttt -107.87 153.84 22.44 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 31' ' ' GLU . 19.7 ttpp -45.5 -46.96 14.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.961 -1.087 . . . . 0.0 109.321 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -48.85 -11.6 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.331 -0.856 . . . . 0.0 109.467 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 29' ' ' LYS . 36.1 mt-10 -97.26 -37.05 10.22 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 109.347 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -59.64 4.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.809 -1.182 . . . . 0.0 108.335 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -56.75 -36.91 70.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 85.8 mt-10 -82.35 -37.07 26.21 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.104 -0.998 . . . . 0.0 110.136 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.6 tp -71.99 -29.72 64.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.147 -0.971 . . . . 0.0 109.26 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 36' ' ' ILE . 59.6 mt -78.13 -41.08 26.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.629 -0.669 . . . . 0.0 110.458 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -81.84 -27.21 33.68 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.156 -0.965 . . . . 0.0 112.209 -178.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.635 ' ND2' ' HH ' ' A' ' 17' ' ' TYR . 1.6 p-10 -90.08 -43.17 10.67 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.575 -1.328 . . . . 0.0 111.79 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 32.9 mm-40 -102.39 -61.1 1.44 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.984 -1.072 . . . . 0.0 110.473 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 44' ' ' LEU . 3.2 mt -78.11 34.96 0.2 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.2 -17.94 33.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.031 . . . . 0.0 110.084 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.23 -18.46 18.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.945 -1.097 . . . . 0.0 109.737 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CZ ' ' CD ' ' B' ' 4' ' ' GLU . 49.7 m-85 -113.07 -37.36 4.8 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.406 -0.809 . . . . 0.0 109.546 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -110.22 130.23 55.58 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -52.17 135.21 32.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.94 103.14 3.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.845 . . . . 0.0 108.971 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 pt -63.25 140.31 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.057 -1.027 . . . . 0.0 109.895 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -108.41 -18.11 13.83 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.97 148.23 35.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' ASP . 21.0 mt-30 -83.92 -19.98 33.79 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.213 -0.93 . . . . 0.0 109.23 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -41.06 -46.01 2.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -0.857 . . . . 0.0 111.971 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.01 -37.26 53.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.585 -1.322 . . . . 0.0 107.965 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -24.24 34.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 30.5 t0 -77.33 -33.15 55.57 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -80.08 -49.27 12.0 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -50.62 -44.06 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.781 -1.199 . . . . 0.0 108.614 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.5 mtt -57.95 -37.86 74.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.391 -0.818 . . . . 0.0 109.035 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.47 -35.03 73.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 m -87.02 -33.8 19.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.52 -47.92 6.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.01 -1.056 . . . . 0.0 110.429 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 4.7 t0 -55.04 108.86 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.261 -1.524 . . . . 0.0 108.631 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -84.42 -50.15 8.03 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.74 -1.19 23.77 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 53.55 46.18 66.13 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 40.2 p-10 -93.94 -5.55 47.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.577 -0.955 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.49 -0.56 89.25 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 17.6 mp0 -131.18 162.64 29.48 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 34.5 m -116.76 99.26 7.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.352 -0.843 . . . . 0.0 111.389 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 33.5 t0 -51.76 -176.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.434 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.7 OUTLIER -73.95 -29.14 61.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.515 -1.366 . . . . 0.0 111.314 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.0 -39.7 65.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.865 -1.147 . . . . 0.0 111.857 -177.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 4.7 pt-20 -89.18 -32.92 17.23 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.19 -1.569 . . . . 0.0 108.229 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.5 t80 -53.07 -46.62 68.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.069 -1.02 . . . . 0.0 108.34 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -43.86 94.74 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.85 -20.57 2.31 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.159 -1.016 . . . . 0.0 109.368 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.01 -52.2 18.17 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.444 ' O ' ' OG1' ' A' ' 81' ' ' THR . 58.2 t -53.39 -36.23 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 82' ' ' THR . 8.5 t -65.21 -31.18 72.21 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.958 0.885 . . . . 0.0 108.858 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.17 -31.78 61.09 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.562 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.14 -31.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 21.8 m -72.77 -36.75 67.71 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.8 p -66.31 -39.45 89.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.187 -0.945 . . . . 0.0 110.478 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.17 95.71 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.68 -1.262 . . . . 0.0 108.745 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.16 -23.77 67.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.49 -34.39 12.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.435 -0.791 . . . . 0.0 108.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -75.12 -48.38 24.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.512 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -51.87 -45.2 64.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.67 -12.2 2.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.399 -0.813 . . . . 0.0 109.858 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' OE1' ' NE2' ' B' ' 25' ' ' HIS . 89.4 mt-10 -105.71 -14.28 15.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.308 -0.87 . . . . 0.0 109.789 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -57.7 102.26 0.09 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.091 -1.006 . . . . 0.0 109.084 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.346 179.748 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.401 ' H ' ' HG ' ' B' ' 1' ' ' SER . 9.5 p -78.62 79.54 5.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.044 -1.035 . . . . 0.0 109.432 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -33.18 64.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.684 -0.635 . . . . 0.0 109.373 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.493 ' O ' ' SD ' ' B' ' 7' ' ' MET . 2.6 mt -72.41 -22.64 61.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -0.963 . . . . 0.0 109.981 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.476 ' CD ' ' CZ ' ' A' ' 43' ' ' PHE . 30.3 tp10 -76.18 -34.35 59.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.786 -1.197 . . . . 0.0 109.042 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -69.01 -46.21 68.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 108.589 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.02 -54.52 45.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 14.3 mtt -49.27 -40.67 35.22 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.382 -0.823 . . . . 0.0 109.61 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.46 -49.61 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.21 69.18 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.302 -0.874 . . . . 0.0 109.195 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.8 -53.87 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 110.407 -179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.98 -33.29 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.39 -50.64 30.02 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.394 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.6 -26.33 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.319 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.2 m-85 -69.08 -53.4 20.51 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.985 -1.072 . . . . 0.0 110.556 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -26.12 60.1 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.717 -1.239 . . . . 0.0 110.755 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.12 -40.23 82.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.557 -1.339 . . . . 0.0 110.109 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.535 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 12.8 m-85 -90.72 -54.86 3.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.941 -1.099 . . . . 0.0 109.042 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.9 OUTLIER -56.43 -22.17 30.09 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.74 -2.13 59.9 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 44.7 ttt180 -61.77 -44.2 97.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.853 -1.381 . . . . 0.0 108.487 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.95 169.77 21.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.606 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.15 -167.99 18.61 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.48 -58.21 5.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.578 -0.954 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -179.74 -42.85 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.464 ' NE2' ' OE1' ' A' ' 89' ' ' GLU . 12.1 m-70 -133.3 58.3 1.77 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.396 -0.815 . . . . 0.0 110.451 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.428 ' N ' ' OG ' ' B' ' 18' ' ' SER . 9.1 tppt? -131.35 143.95 50.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.67 130.29 41.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.15 -0.969 . . . . 0.0 110.565 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.484 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 67.9 mttt -108.0 153.86 22.48 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' B' ' 31' ' ' GLU . 19.2 ttpp -45.54 -46.85 14.3 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.994 -1.066 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -49.07 -11.29 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.478 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.535 ' H ' ' C ' ' B' ' 29' ' ' LYS . 36.0 mt-10 -97.48 -37.06 10.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.37 -0.831 . . . . 0.0 109.335 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -59.89 4.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.852 -1.155 . . . . 0.0 108.277 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -56.53 -37.0 69.88 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.485 -0.759 . . . . 0.0 109.995 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 86.5 mt-10 -82.43 -36.91 26.19 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.117 -0.989 . . . . 0.0 110.18 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' B' ' 31' ' ' GLU . 63.9 tp -71.92 -30.12 65.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.404 HG22 HD11 ' B' ' 36' ' ' ILE . 57.8 mt -77.98 -40.99 27.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.653 -0.654 . . . . 0.0 110.406 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER -81.9 -27.03 33.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.122 -0.986 . . . . 0.0 112.1 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 1.6 p-10 -90.26 -43.25 10.51 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.628 -1.295 . . . . 0.0 111.836 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 33.1 mm-40 -102.3 -60.88 1.47 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.997 -1.064 . . . . 0.0 110.504 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' LEU . 3.1 mt -78.25 34.97 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.108 -0.995 . . . . 0.0 109.587 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.423 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.938 -1.102 . . . . 0.0 110.135 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.33 -18.26 18.43 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.992 -1.067 . . . . 0.0 109.874 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 4' ' ' GLU . 49.5 m-85 -113.3 -37.62 4.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.527 -0.733 . . . . 0.0 109.441 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 40' ' ' LEU . 15.3 tp -109.8 130.25 55.54 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -52.22 135.23 32.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.023 -1.048 . . . . 0.0 109.669 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.02 103.14 3.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.905 . . . . 0.0 108.924 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 pt -63.18 140.45 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.105 -0.997 . . . . 0.0 109.875 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -108.64 -18.08 13.81 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.06 148.36 35.36 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' B' ' 54' ' ' ASP . 22.0 mt-30 -83.87 -20.19 33.53 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -40.93 -46.02 2.69 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.466 -0.771 . . . . 0.0 111.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -73.14 -37.08 51.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.521 -1.362 . . . . 0.0 107.873 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -65.62 -24.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.6 t0 -77.15 -33.45 56.64 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -79.66 -49.33 12.29 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -50.71 -44.01 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.814 -1.179 . . . . 0.0 108.666 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 19.8 mtt -57.94 -37.7 74.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.798 . . . . 0.0 109.083 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.48 -34.94 73.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.412 -0.805 . . . . 0.0 109.344 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 27.8 m -87.24 -33.65 19.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.839 . . . . 0.0 110.036 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.69 -48.0 6.8 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.086 -1.009 . . . . 0.0 110.463 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 4.7 t0 -54.98 108.74 0.43 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.259 -1.526 . . . . 0.0 108.662 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -84.36 -50.29 7.95 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.69 -1.29 24.13 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 53.72 46.16 67.58 Favored Glycine 0 N--CA 1.485 1.967 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 40.3 p-10 -94.01 -5.65 47.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.459 -1.024 . . . . 0.0 109.412 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.7 -0.63 89.18 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.4 mp0 -131.11 162.51 29.71 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 34.2 m -116.67 99.62 7.26 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.388 -0.82 . . . . 0.0 111.3 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 34.0 t0 -52.01 -176.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -29.42 61.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.461 -1.399 . . . . 0.0 111.306 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.494 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -72.62 -39.74 67.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.794 -1.191 . . . . 0.0 111.951 -177.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.6 pt-20 -89.14 -33.02 17.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.262 -1.524 . . . . 0.0 108.282 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.479 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.5 t80 -53.15 -46.66 68.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 108.285 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -44.09 94.04 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.63 -20.61 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.363 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -72.08 -52.27 17.64 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.46 ' O ' ' OG1' ' B' ' 81' ' ' THR . 59.1 t -53.23 -36.24 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 122.019 0.914 . . . . 0.0 108.638 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 70' ' ' PHE . 8.5 t -65.08 -31.32 72.47 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.883 0.849 . . . . 0.0 108.83 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.15 -31.69 61.11 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.755 -0.591 . . . . 0.0 109.564 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.1 -32.16 6.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 21.6 m -72.75 -36.94 67.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 78' ' ' SER . 7.4 p -66.08 -39.65 90.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 110.431 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.3 96.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.776 -1.203 . . . . 0.0 108.73 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.12 -23.56 67.17 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.523 -0.871 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.57 -34.47 12.64 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 82' ' ' THR . 36.6 tt0 -75.13 -48.3 24.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.558 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -51.96 -45.0 64.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.041 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -12.51 3.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.363 -0.836 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' HIS . 92.2 mt-10 -105.52 -14.15 15.39 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.308 -0.87 . . . . 0.0 109.784 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.63 102.09 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.072 -1.017 . . . . 0.0 109.028 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.322 179.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 p -86.58 84.06 7.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.356 -0.84 . . . . 0.0 109.898 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.81 -29.37 68.2 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.38 -25.77 60.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -75.28 -31.61 60.78 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.53 -1.356 . . . . 0.0 109.557 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -63.85 -43.08 97.22 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.19 -0.944 . . . . 0.0 108.588 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.91 64.08 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 109.811 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.8 mtt -52.26 -43.3 64.31 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.32 -49.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.265 -0.897 . . . . 0.0 109.736 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.13 -30.71 66.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.52 -0.737 . . . . 0.0 109.224 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.34 -52.59 7.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.09 -1.006 . . . . 0.0 110.287 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mt -45.74 -30.54 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.145 -0.972 . . . . 0.0 109.538 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 99.2 m-20 -76.14 -49.08 18.3 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.66 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -78.91 -26.8 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.149 -0.969 . . . . 0.0 109.031 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.98 -53.72 13.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -71.21 -31.53 67.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 0.0 110.743 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 37.3 mm-40 -67.94 -36.97 81.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.839 -1.163 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -93.92 -56.96 2.69 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.009 . . . . 0.0 109.305 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -52.95 -23.36 7.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.659 -1.275 . . . . 0.0 108.253 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.82 -3.16 55.08 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 34' ' ' GLU . 44.6 ttt85 -55.2 -37.59 67.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.514 . . . . 0.0 108.587 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -170.38 172.98 5.85 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.471 -0.768 . . . . 0.0 109.745 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.37 -177.33 26.0 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -51.28 -58.75 5.36 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.188 -1.183 . . . . 0.0 108.535 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 169.13 144.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 41.53 46.94 3.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.558 -0.714 . . . . 0.0 111.984 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -138.47 147.44 43.23 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.559 -1.338 . . . . 0.0 107.542 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.79 125.13 42.46 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.251 -0.906 . . . . 0.0 112.169 -177.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -110.27 159.55 17.31 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HZ2' ' NE2' ' A' ' 50' ' ' GLN . 46.1 mtmt -51.04 -41.1 59.64 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.799 -1.188 . . . . 0.0 109.681 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -54.88 -18.48 4.96 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 109.635 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 72.5 mt-10 -102.69 -34.42 9.06 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -49.37 56.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.378 -0.826 . . . . 0.0 109.085 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.31 -36.94 74.62 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 50.4 tt0 -76.94 -32.22 57.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.833 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 49.8 tp -73.76 -33.63 64.36 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.922 -1.111 . . . . 0.0 108.708 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.14 -37.71 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.041 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.55 -22.52 47.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.971 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -91.86 -43.89 9.24 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.978 -1.076 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.8 mm-40 -110.28 -61.58 1.64 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.87 -1.144 . . . . 0.0 110.818 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -75.11 31.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.9 -1.125 . . . . 0.0 110.258 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLU . 23.8 t -85.26 -19.47 31.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.964 -1.085 . . . . 0.0 108.595 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.09 -21.13 21.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.305 -0.872 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -108.97 -32.99 7.04 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.55 129.18 56.61 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.96 140.94 18.96 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.907 -1.12 . . . . 0.0 109.759 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.89 103.54 0.46 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.904 -1.122 . . . . 0.0 109.357 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.85 132.94 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 109.707 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -105.62 -12.97 15.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.54 122.48 38.3 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.518 ' NE2' ' HZ2' ' A' ' 29' ' ' LYS . 4.8 pt20 -60.2 -17.08 38.83 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.308 -0.87 . . . . 0.0 109.85 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.97 -40.18 4.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.061 . . . . 0.0 111.278 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.25 -37.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -64.34 -25.16 37.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.5 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.45 -34.11 54.58 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -74.33 -55.22 6.26 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -52.08 -43.27 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ASP . 20.2 mmm -62.35 -27.81 69.32 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.55 -38.51 84.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.27 -26.94 38.71 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.823 -0.548 . . . . 0.0 109.92 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.53 -44.19 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.297 -0.877 . . . . 0.0 110.678 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' MET . 53.7 t0 -55.41 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.408 -1.432 . . . . 0.0 109.105 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.21 -38.43 13.47 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.1 p30 -76.01 -4.91 43.79 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.14 45.8 93.52 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -105.0 -4.48 21.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.63 -0.924 . . . . 0.0 110.182 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.16 -3.76 56.91 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -120.88 166.57 13.61 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.482 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 11.5 m -126.96 92.07 3.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.385 -0.822 . . . . 0.0 110.145 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -53.05 -175.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -69.63 -28.75 66.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.11 -0.994 . . . . 0.0 110.542 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -68.33 -45.22 73.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 111.701 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.65 -32.56 16.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.379 -1.451 . . . . 0.0 108.775 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -51.77 -45.06 63.63 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.835 -1.165 . . . . 0.0 108.822 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.21 -41.46 90.13 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -52.32 -23.07 5.24 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.159 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.27 -52.14 30.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.56 -31.89 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.498 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.51 ' HG ' ' N ' ' A' ' 79' ' ' MET . 7.4 p -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.791 -1.193 . . . . 0.0 107.836 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.51 ' N ' ' HG ' ' A' ' 78' ' ' SER . 3.5 ttp -76.58 -31.63 57.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.686 -0.633 . . . . 0.0 109.5 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.76 -32.03 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -68.84 -38.21 79.67 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.451 ' H ' ' HG1' ' A' ' 82' ' ' THR . 4.9 p -61.43 -37.49 83.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.57 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.43 70.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.688 -1.257 . . . . 0.0 107.95 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.5 t -53.47 -37.78 62.99 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -73.76 -28.76 61.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -75.08 -49.23 20.35 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.565 -0.71 . . . . 0.0 109.545 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -53.64 -52.31 60.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.109 -0.994 . . . . 0.0 108.991 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.07 -64.26 0.99 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.997 -1.064 . . . . 0.0 109.249 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -82.74 47.22 1.16 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -0.89 . . . . 0.0 109.701 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -70.13 100.32 1.63 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.247 -0.908 . . . . 0.0 109.126 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.33 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 9.0 ttt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.7 p -86.97 84.19 7.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.274 -0.891 . . . . 0.0 109.884 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.86 -29.42 68.28 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.516 0.674 . . . . 0.0 109.485 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.19 -25.76 60.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 110.253 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -75.58 -31.54 60.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.595 -1.316 . . . . 0.0 109.612 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -63.92 -43.17 96.72 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.12 67.51 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.044 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.7 mtt -53.2 -42.55 66.39 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.321 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.08 -49.01 46.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.126 -0.984 . . . . 0.0 109.783 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.109 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' PHE . 4.6 mt -80.55 -52.66 7.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.963 . . . . 0.0 110.165 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.9 mt -45.6 -31.03 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.166 -0.959 . . . . 0.0 109.538 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 99.5 m-20 -75.76 -49.09 19.18 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.703 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -79.26 -26.43 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.089 -1.007 . . . . 0.0 109.043 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.8 t80 -70.87 -54.86 9.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 109.235 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -70.46 -31.59 68.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.736 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' B' ' 12' ' ' ASP . 36.1 mm-40 -68.05 -36.85 80.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.842 -1.161 . . . . 0.0 109.996 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.92 -56.74 2.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.035 -1.041 . . . . 0.0 109.217 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.8 m -53.14 -23.23 7.72 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.735 -1.228 . . . . 0.0 108.33 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.77 -3.48 54.99 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -55.05 -37.38 66.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.624 -1.515 . . . . 0.0 108.497 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -170.91 172.81 5.41 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.96 -177.29 25.26 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 36.3 t0 -51.6 -58.19 7.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.151 -1.205 . . . . 0.0 108.575 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 5.4 mmtt 168.65 144.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 41.72 47.08 3.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.631 -0.668 . . . . 0.0 111.868 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -138.79 147.55 42.7 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.25 124.79 43.05 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.228 -0.92 . . . . 0.0 112.221 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -109.95 159.7 17.03 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.98 -41.05 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.874 -1.141 . . . . 0.0 109.76 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -55.3 -18.15 5.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.264 -0.897 . . . . 0.0 109.642 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 71.3 mt-10 -102.67 -34.94 8.87 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -49.73 55.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 109.294 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -69.77 -37.17 76.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.97 -32.22 57.11 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.856 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 50.8 tp -73.51 -33.93 65.02 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.002 -1.061 . . . . 0.0 108.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.402 HD12 HG22 ' B' ' 36' ' ' ILE . 44.5 mt -69.85 -38.11 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.426 -0.797 . . . . 0.0 108.997 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -78.22 -22.57 48.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.953 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.16 -43.63 9.24 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.906 -1.121 . . . . 0.0 111.975 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' B' ' 41' ' ' SER . 37.4 mm-40 -110.87 -61.41 1.69 Allowed 'General case' 0 N--CA 1.506 2.365 0 O-C-N 120.83 -1.169 . . . . 0.0 110.722 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.6 31.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.911 -1.118 . . . . 0.0 110.201 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.471 ' H ' ' C ' ' B' ' 39' ' ' GLU . 20.7 t -85.35 -19.41 31.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.694 -1.253 . . . . 0.0 108.658 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.02 -21.32 21.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 109.446 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -108.82 -32.05 7.45 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.19 128.68 56.48 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.07 141.27 18.66 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.983 -1.073 . . . . 0.0 109.677 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.96 103.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 109.478 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.0 pt -65.88 132.42 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.998 -1.064 . . . . 0.0 109.782 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -105.05 -12.71 16.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -123.81 121.94 36.72 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' B' ' 53' ' ' VAL . 4.7 pt20 -59.47 -17.56 32.36 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.285 -0.885 . . . . 0.0 109.982 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -43.54 -40.18 3.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.101 -0.999 . . . . 0.0 111.322 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.44 -37.4 37.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.461 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -64.03 -25.4 38.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 106.087 -1.819 . . . . 0.0 106.087 178.391 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.07 -33.69 57.11 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -74.68 -55.28 6.05 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -51.72 -44.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 22.5 mmm -61.87 -27.82 69.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.77 -38.4 83.37 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.39 -27.22 38.19 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.759 -0.588 . . . . 0.0 110.018 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.86 -44.11 6.84 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.254 -0.904 . . . . 0.0 110.699 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' B' ' 57' ' ' MET . 53.9 t0 -55.6 99.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.334 -1.479 . . . . 0.0 109.109 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.33 -38.7 13.18 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -75.86 -5.12 44.49 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.62 45.39 94.73 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -104.61 -4.22 22.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.761 -0.847 . . . . 0.0 110.054 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.51 -2.66 57.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -121.24 166.14 14.43 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.459 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 9.9 m -127.35 92.09 3.44 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.273 -0.892 . . . . 0.0 110.155 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -53.0 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -69.7 -29.02 66.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.084 -1.01 . . . . 0.0 110.406 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.8 -45.21 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.999 -1.063 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.9 -32.55 15.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.387 -1.446 . . . . 0.0 108.957 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -51.89 -44.75 63.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.861 -1.15 . . . . 0.0 108.667 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 4.4 ttt -66.19 -41.62 89.98 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.438 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -52.56 -23.14 5.81 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.024 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -68.98 -52.22 31.25 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' B' ' 81' ' ' THR . 94.9 t -58.38 -32.01 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.472 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 10.8 p -64.45 -30.85 71.88 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.681 -1.262 . . . . 0.0 107.805 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.13 -31.65 58.72 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.655 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.42 -32.9 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 25.5 m -68.19 -38.07 81.59 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -61.96 -37.47 84.86 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.33 70.27 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.496 -1.377 . . . . 0.0 107.89 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 25.8 t -53.21 -37.68 62.23 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -73.86 -28.74 61.73 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -74.83 -49.43 20.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.631 -0.668 . . . . 0.0 109.382 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -53.42 -52.32 59.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.285 -0.885 . . . . 0.0 109.12 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -62.56 -64.36 0.95 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.05 -1.031 . . . . 0.0 109.143 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -82.67 47.14 1.15 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.364 -0.835 . . . . 0.0 109.805 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.42 100.25 1.73 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.281 -0.887 . . . . 0.0 109.082 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.274 179.71 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 6.9 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p -107.33 -171.26 1.85 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.363 -0.836 . . . . 0.0 109.928 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -18.77 2.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.62 -0.675 . . . . 0.0 109.348 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 2.8 mm? -84.97 -26.97 26.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.389 -0.82 . . . . 0.0 110.117 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.3 -25.03 46.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.12 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -74.88 -50.54 16.6 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -54.42 46.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.496 -0.752 . . . . 0.0 110.209 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.502 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 8.1 mtm -54.67 -36.85 65.05 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.334 -0.854 . . . . 0.0 109.936 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.48 -47.5 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.891 -1.131 . . . . 0.0 108.724 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.14 -36.64 65.99 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.72 -0.612 . . . . 0.0 109.91 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.6 mp -79.91 -49.02 12.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.934 -1.104 . . . . 0.0 111.146 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . 53.3 mt -44.4 -29.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.719 -1.238 . . . . 0.0 109.731 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -79.16 -50.59 10.75 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.116 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -74.33 -27.07 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 109.208 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -73.22 -43.57 61.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.688 -0.632 . . . . 0.0 109.75 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.489 ' ND1' ' NE2' ' B' ' 85' ' ' HIS . 3.1 t-160 -78.12 -32.93 50.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.812 -1.18 . . . . 0.0 110.659 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -67.8 -37.61 82.23 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.951 -1.093 . . . . 0.0 110.741 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' OH ' ' OE1' ' A' ' 39' ' ' GLU . 30.9 m-85 -86.47 -54.66 4.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.81 -1.181 . . . . 0.0 108.595 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 p -55.52 -21.84 18.64 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 1.78 57.74 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -66.95 -47.03 72.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.921 -1.341 . . . . 0.0 109.26 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.99 151.26 29.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.411 -0.806 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 100.16 -160.06 19.33 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 6.2 t70 -49.52 -93.81 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.448 -1.031 . . . . 0.0 109.115 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 16.6 tptm -171.95 -8.95 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.377 -0.827 . . . . 0.0 109.809 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 12.4 m-70 -142.92 35.02 1.38 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.657 -1.277 . . . . 0.0 111.25 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.28 47.11 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.01 138.51 32.64 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.396 1.093 . . . . 0.0 110.511 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.4 mttm -108.84 156.59 19.48 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.526 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 31' ' ' GLU . 47.2 mtmt -44.83 -49.27 10.89 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.997 -1.064 . . . . 0.0 109.204 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -49.8 -15.76 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 0.0 109.051 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 35' ' ' LEU . 39.0 mt-10 -101.63 -47.57 4.59 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.322 -0.861 . . . . 0.0 109.513 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.98 -36.64 84.2 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.325 -0.859 . . . . 0.0 110.077 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.71 -36.72 25.59 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.636 -1.29 . . . . 0.0 108.164 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -77.15 -30.8 55.21 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.021 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.9 tp -72.02 -30.23 64.98 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -76.31 -39.15 34.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.249 -0.907 . . . . 0.0 109.418 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -82.69 -24.22 33.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 110.489 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.57 -44.17 7.62 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.908 -1.12 . . . . 0.0 111.168 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 1.5 mp0 -99.35 -69.53 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.104 -0.997 . . . . 0.0 110.054 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.91 38.92 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.041 -1.037 . . . . 0.0 109.325 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -92.91 -19.44 21.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.741 -1.224 . . . . 0.0 110.146 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.77 -20.32 21.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.888 -1.132 . . . . 0.0 108.938 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.6 -39.97 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 tp -101.97 138.18 39.28 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' ILE . 34.8 mt-10 -48.17 132.93 15.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.51 84.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.83 . . . . 0.0 109.886 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.0 mt -56.25 123.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.951 -1.093 . . . . 0.0 108.59 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -115.07 -16.41 11.62 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -99.68 151.98 20.6 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -93.21 -29.04 15.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.116 -0.99 . . . . 0.0 109.781 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -48.35 -30.92 5.41 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.221 -0.924 . . . . 0.0 110.052 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 p -75.6 -37.98 37.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -23.2 29.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.65 -30.82 57.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.9 tptt -83.34 -52.5 6.49 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -46.75 -43.0 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.781 -1.199 . . . . 0.0 108.863 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 6.9 mtt -64.27 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' LYS . 25.1 tt0 -60.98 -32.03 71.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.008 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.9 m -90.17 -33.04 16.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.524 -0.735 . . . . 0.0 109.432 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.0 -43.95 10.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.185 -0.947 . . . . 0.0 110.231 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.2 t0 -55.97 96.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.556 -1.34 . . . . 0.0 109.854 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.62 -36.87 14.15 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 16.9 p-10 -82.01 -3.56 54.76 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.93 45.54 95.44 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 67' ' ' GLU . 53.5 p30 -99.08 -6.04 29.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.477 -1.014 . . . . 0.0 109.554 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 66.85 -1.25 6.04 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' A' ' 65' ' ' ASP . 2.3 mp0 -122.96 176.64 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 69' ' ' ASP . 68.8 m -128.01 87.56 2.63 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.264 -0.897 . . . . 0.0 110.333 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 35.6 t70 -52.49 -173.56 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.285 -0.884 . . . . 0.0 108.668 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.547 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 1.0 OUTLIER -74.66 -30.14 61.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.4 -1.437 . . . . 0.0 111.264 -179.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -70.53 -39.3 74.13 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.746 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.918 -1.114 . . . . 0.0 109.115 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.58 -45.1 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.064 -1.023 . . . . 0.0 109.057 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 178.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.55 -20.04 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.558 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -75.23 -51.83 12.37 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.348 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 81' ' ' THR . 78.4 t -54.74 -34.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.009 -1.057 . . . . 0.0 108.556 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 82' ' ' THR . 4.1 t -66.24 -28.95 69.12 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.048 -1.032 . . . . 0.0 108.336 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.8 -31.36 59.4 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.152 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.8 -31.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 178.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.576 ' HG1' ' CG ' ' B' ' 7' ' ' MET . 30.0 m -69.5 -38.23 77.53 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.7 p -64.45 -39.96 94.81 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.337 -0.852 . . . . 0.0 110.705 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.05 73.07 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.559 -1.338 . . . . 0.0 108.471 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -19.92 53.46 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.392 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' ND1' ' B' ' 15' ' ' HIS . 9.9 t-160 -86.12 -38.43 17.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.291 -0.881 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.33 -24.94 50.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 109.554 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.26 -41.39 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.242 -0.911 . . . . 0.0 109.31 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' C ' ' H ' ' A' ' 90' ' ' HIS . 80.6 t80 -58.19 -67.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.96 20.75 0.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 0.0 110.469 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 88' ' ' PHE . 13.4 t-160 -67.29 101.86 0.99 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.91 -1.119 . . . . 0.0 108.991 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.33 179.773 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.436 ' H3 ' ' H ' ' B' ' 1' ' ' SER . 6.6 ptp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.436 ' H ' ' H3 ' ' B' ' 0' ' ' MET . 13.1 p -106.98 -171.26 1.85 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.495 -0.753 . . . . 0.0 110.011 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -52.99 -18.77 2.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.66 -0.65 . . . . 0.0 109.328 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 2.8 mm? -85.02 -26.93 26.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 0.0 110.116 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.41 -25.16 46.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.835 -1.166 . . . . 0.0 109.094 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -74.65 -50.58 17.19 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -54.05 50.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.221 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.576 ' CG ' ' HG1' ' A' ' 81' ' ' THR . 7.8 mtm -54.88 -36.7 65.41 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.389 -0.82 . . . . 0.0 109.928 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.7 -47.35 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.119 . . . . 0.0 108.73 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.03 -36.79 65.89 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.616 -0.678 . . . . 0.0 110.014 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -79.81 -49.05 12.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 0.0 111.112 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.2 mt -44.31 -28.99 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 120.775 -1.203 . . . . 0.0 109.789 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -79.21 -50.6 10.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.004 . . . . 0.0 109.038 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 -27.08 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.464 -0.772 . . . . 0.0 109.207 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 10' ' ' LEU . 0.7 OUTLIER -73.16 -43.58 61.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.571 -0.705 . . . . 0.0 109.682 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.458 ' ND1' ' NE2' ' A' ' 85' ' ' HIS . 3.0 t-160 -78.07 -32.96 51.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.839 -1.163 . . . . 0.0 110.651 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.7 -37.65 82.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.787 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.536 ' HH ' ' CD ' ' B' ' 39' ' ' GLU . 31.0 m-85 -86.49 -54.77 4.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 0.0 108.534 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -55.31 -22.05 17.26 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.99 1.75 57.91 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -66.84 -47.03 73.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.868 -1.372 . . . . 0.0 109.241 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.98 151.37 29.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 109.452 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 100.01 -159.8 19.45 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 6.2 t70 -49.75 -93.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.411 -1.052 . . . . 0.0 109.137 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 16.6 tptm -171.77 -8.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.913 . . . . 0.0 109.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 12.8 m-70 -142.76 34.97 1.41 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.682 -1.261 . . . . 0.0 111.411 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.34 47.17 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.1 138.51 32.71 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 122.412 1.101 . . . . 0.0 110.437 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 31' ' ' GLU . 41.6 mttm -109.0 156.5 19.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.492 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' B' ' 31' ' ' GLU . 46.8 mtmt -44.73 -49.46 10.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.921 -1.112 . . . . 0.0 109.166 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -49.6 -15.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.443 -0.786 . . . . 0.0 109.043 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 35' ' ' LEU . 40.1 mt-10 -101.64 -47.62 4.58 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.401 -0.812 . . . . 0.0 109.558 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.18 -36.33 83.29 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.42 -0.8 . . . . 0.0 110.042 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.81 -36.73 25.31 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.601 -1.312 . . . . 0.0 108.132 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.19 -30.69 54.93 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.991 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.2 tp -72.32 -30.29 64.63 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -76.04 -39.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.306 -0.872 . . . . 0.0 109.414 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -82.79 -24.34 33.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.063 -1.023 . . . . 0.0 110.422 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.44 -44.36 7.57 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.966 -1.084 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.536 ' CD ' ' HH ' ' B' ' 17' ' ' TYR . 1.5 mp0 -99.2 -69.46 0.76 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.062 -1.024 . . . . 0.0 110.078 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.97 38.79 0.11 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.445 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.83 -19.44 21.72 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.744 -1.222 . . . . 0.0 110.161 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -91.89 -20.2 21.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.968 -1.083 . . . . 0.0 108.925 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 -39.85 5.24 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.6 tp -102.11 138.18 39.39 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 47' ' ' ILE . 34.6 mt-10 -48.2 132.89 15.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.328 -0.858 . . . . 0.0 109.496 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.37 84.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 45' ' ' GLU . 6.6 mt -56.21 123.93 8.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 120.998 -1.064 . . . . 0.0 108.59 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.17 -16.23 11.58 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -99.67 151.65 20.97 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -93.18 -28.71 16.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -48.62 -30.85 5.83 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.226 -0.921 . . . . 0.0 109.982 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 p -75.58 -37.89 37.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -23.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -76.77 -30.8 56.68 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 5.9 tptt -83.13 -52.63 6.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -46.62 -43.14 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.764 -1.21 . . . . 0.0 108.872 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.472 ' O ' ' N ' ' B' ' 61' ' ' ASP . 7.0 mtt -64.25 -31.65 72.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.856 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 24.9 tt0 -61.08 -32.08 71.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.002 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -90.15 -32.93 16.43 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.474 -0.766 . . . . 0.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.14 -43.83 10.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.4 t0 -56.07 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.641 -1.287 . . . . 0.0 109.854 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -90.49 -37.01 14.19 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.3 p-10 -81.95 -3.31 54.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.76 45.54 95.52 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.177 -1.969 . . . . 0.0 108.177 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' B' ' 67' ' ' GLU . 53.7 p30 -99.03 -6.04 29.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -1.045 . . . . 0.0 109.559 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.413 ' O ' ' OE2' ' B' ' 67' ' ' GLU . . . 66.71 -0.9 6.3 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' B' ' 65' ' ' ASP . 2.4 mp0 -123.1 176.39 6.08 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' B' ' 69' ' ' ASP . 74.8 m -127.87 87.53 2.63 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.262 -0.899 . . . . 0.0 110.345 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.559 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 35.6 t70 -52.36 -173.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 108.736 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.559 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 1.0 OUTLIER -74.58 -30.15 61.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.442 -1.411 . . . . 0.0 111.232 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -70.5 -39.34 74.22 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.23 -0.918 . . . . 0.0 110.687 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -89.44 -35.92 15.74 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.995 -1.066 . . . . 0.0 109.098 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -53.57 -45.18 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.031 -1.043 . . . . 0.0 108.995 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -62.11 -43.4 98.92 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -20.06 1.77 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.593 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -74.96 -52.3 11.51 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.323 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' B' ' 81' ' ' THR . 77.1 t -54.39 -34.51 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 108.68 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.426 ' O ' ' CG2' ' B' ' 82' ' ' THR . 4.4 t -66.37 -29.04 69.13 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.043 -1.036 . . . . 0.0 108.239 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.83 -31.27 59.28 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.114 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.9 -31.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.502 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 29.2 m -69.59 -38.24 77.23 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' B' ' 78' ' ' SER . 7.8 p -64.36 -40.05 95.1 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.212 -0.93 . . . . 0.0 110.66 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.9 72.97 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.552 -1.342 . . . . 0.0 108.423 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.16 -19.56 53.74 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.463 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' ND1' ' A' ' 15' ' ' HIS . 10.0 t-160 -86.3 -38.42 17.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 109.543 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.43 -25.05 50.31 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 109.45 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.09 -41.54 73.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.367 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.491 ' C ' ' H ' ' B' ' 90' ' ' HIS . 80.5 t80 -58.12 -66.87 0.41 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.352 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.08 20.75 0.06 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.111 -0.993 . . . . 0.0 110.49 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' H ' ' C ' ' B' ' 88' ' ' PHE . 13.2 t-160 -67.25 101.81 0.97 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.012 -1.055 . . . . 0.0 109.009 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.373 179.755 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p -87.03 78.2 9.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.241 -0.912 . . . . 0.0 109.023 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.13 -33.32 26.06 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.253 0.549 . . . . 0.0 109.635 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.99 -20.19 61.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.898 . . . . 0.0 109.991 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -73.93 -35.48 64.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.709 -1.244 . . . . 0.0 108.811 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.56 72.84 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 108.84 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.34 34.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.584 -0.697 . . . . 0.0 110.15 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 3.5 mtm -50.77 -39.67 53.08 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.098 -1.001 . . . . 0.0 109.631 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.67 -43.62 77.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.094 -1.004 . . . . 0.0 109.386 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.86 73.99 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.444 -0.785 . . . . 0.0 110.239 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.6 mp -80.15 -48.18 13.57 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.777 -1.202 . . . . 0.0 111.024 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.93 -29.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.719 -1.238 . . . . 0.0 109.893 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.28 -51.51 9.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.54 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.16 -25.73 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 108.899 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.4 t80 -70.85 -48.35 54.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -74.88 -35.73 62.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.076 -1.015 . . . . 0.0 110.701 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.75 -40.02 94.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.871 -1.143 . . . . 0.0 110.15 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 24.2 m-85 -81.12 -53.16 6.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.987 -1.071 . . . . 0.0 108.4 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -56.79 -29.52 62.75 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -89.62 5.66 83.56 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -71.34 -51.96 21.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.96 -1.318 . . . . 0.0 109.277 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.27 168.22 24.68 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.305 -0.872 . . . . 0.0 110.606 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.81 -150.18 23.42 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.2 165.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -1.021 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -97.92 -14.77 20.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.456 -0.778 . . . . 0.0 111.096 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -126.61 27.27 6.13 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.678 -1.263 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 49.9 mtpt -136.88 148.81 47.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.11 135.14 34.57 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.293 1.044 . . . . 0.0 110.271 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.64 151.79 21.2 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 31' ' ' GLU . 38.1 mttm -43.68 -51.12 7.29 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.69 -1.256 . . . . 0.0 109.51 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -48.75 -13.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.424 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' LYS . 44.0 mt-10 -101.32 -40.42 7.13 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.439 -0.788 . . . . 0.0 109.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.65 -47.78 68.58 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.267 -0.896 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -72.29 -35.79 68.79 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.604 -1.31 . . . . 0.0 108.686 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -76.26 -31.83 58.51 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.13 -0.981 . . . . 0.0 109.801 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 31.1 tp -69.72 -29.16 66.48 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.1 mt -77.4 -38.72 26.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.4 t30 -85.51 -27.75 25.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.085 -1.01 . . . . 0.0 111.626 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -86.73 -46.82 9.66 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.592 -1.317 . . . . 0.0 113.278 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 41' ' ' SER . 5.5 tp10 -110.85 -48.24 3.15 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.682 -1.261 . . . . 0.0 109.638 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.78 27.9 0.28 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -85.04 -16.54 40.38 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.477 -0.764 . . . . 0.0 110.889 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.4 -24.12 14.58 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.954 -1.092 . . . . 0.0 110.148 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -50.92 3.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.21 -0.931 . . . . 0.0 108.669 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -90.85 140.15 30.08 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.002 . . . . 0.0 108.472 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -48.31 131.47 16.62 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 109.617 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -59.76 89.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 110.003 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 47' ' ' ILE . 1.9 mt -63.5 125.44 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -107.58 -17.79 14.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.547 -0.72 . . . . 0.0 109.296 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.79 148.18 24.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.418 -0.801 . . . . 0.0 109.241 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.21 -28.97 14.76 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 109.73 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.33 -29.4 6.04 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.698 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 m -74.74 -37.36 42.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -23.09 31.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.97 -34.21 38.83 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -77.66 -52.03 9.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.62 -0.675 . . . . 0.0 109.334 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.0 p -49.53 -42.33 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.5 mmt -55.6 -31.66 62.43 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.4 tp10 -63.21 -36.85 85.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.298 -0.876 . . . . 0.0 109.115 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -81.97 -32.05 30.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.296 -0.877 . . . . 0.0 109.675 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.14 -45.08 7.7 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.172 -0.955 . . . . 0.0 110.941 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' MET . 34.5 t0 -55.78 106.69 0.27 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.351 -1.468 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' B' ' 62' ' ' GLU . 32.5 tt0 -89.67 -47.47 7.92 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 4.9 p30 -76.06 -1.81 27.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.52 42.68 90.35 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 32.6 p30 -95.82 -3.57 45.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.709 -0.877 . . . . 0.0 109.905 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.63 9.95 66.21 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -129.35 169.97 14.23 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 30.8 m -127.67 87.55 2.64 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.525 -0.735 . . . . 0.0 109.886 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 27.6 t0 -50.47 -175.18 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.737 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.478 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 1.1 p90 -75.16 -30.74 60.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.926 -1.109 . . . . 0.0 110.707 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -71.49 -38.18 71.2 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.937 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -89.75 -38.15 14.03 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.075 -1.016 . . . . 0.0 108.86 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.94 -45.94 67.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.853 -1.154 . . . . 0.0 108.427 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -45.22 84.18 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -51.92 -18.6 1.4 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.496 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -74.95 -55.54 5.66 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.811 -1.18 . . . . 0.0 108.922 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.1 t -55.34 -33.03 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.082 -1.011 . . . . 0.0 108.723 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 37.7 p -65.27 -34.12 77.59 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.862 0.839 . . . . 0.0 109.245 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.54 -28.42 62.84 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.25 -35.02 9.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 19.8 m -69.23 -36.37 77.13 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 p -65.04 -41.05 95.54 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.277 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.35 69.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.447 -1.408 . . . . 0.0 108.639 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.07 -20.4 62.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.531 -0.73 . . . . 0.0 109.183 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CE1' ' OE1' ' A' ' 89' ' ' GLU . 62.1 t60 -105.17 -30.52 9.65 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 109.395 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -75.38 -48.57 22.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.114 -0.991 . . . . 0.0 109.582 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.77 -29.58 63.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -79.52 -35.79 39.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 109.541 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' OE1' ' CE1' ' A' ' 85' ' ' HIS . 72.1 tt0 -68.78 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.175 -0.953 . . . . 0.0 108.471 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.22 99.24 2.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.91 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 120.921 -1.112 . . . . 0.0 109.449 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.274 0.559 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p -87.15 78.26 8.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.0 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.24 -33.37 27.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.95 -20.15 61.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.255 -0.903 . . . . 0.0 110.041 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -73.89 -35.49 64.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.757 -1.215 . . . . 0.0 108.825 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.59 72.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -55.34 34.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 3.5 mtm -50.63 -39.85 51.45 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.12 -0.987 . . . . 0.0 109.517 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.71 -43.42 77.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.139 -0.976 . . . . 0.0 109.411 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.84 74.15 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.418 -0.801 . . . . 0.0 110.142 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.6 mp -80.12 -48.24 13.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.828 -1.17 . . . . 0.0 110.96 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.412 HG21 HD12 ' B' ' 11' ' ' ILE . 74.0 mt -45.9 -29.09 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -79.23 -51.6 9.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 109.553 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.92 -25.92 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 108.927 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' B' ' 10' ' ' LEU . 6.3 t80 -70.69 -48.53 54.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -35.91 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.095 -1.003 . . . . 0.0 110.649 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.66 -39.98 94.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.898 -1.126 . . . . 0.0 110.168 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.422 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 24.1 m-85 -81.17 -53.32 6.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.379 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -56.8 -29.43 62.7 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 5.61 83.71 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -71.26 -52.05 21.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.903 -1.351 . . . . 0.0 109.255 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.32 168.03 25.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.31 -0.869 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.94 -149.93 24.6 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.39 166.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 109.669 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -98.1 -14.59 20.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.486 -0.759 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -126.64 27.09 6.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.797 -1.189 . . . . 0.0 111.248 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -136.72 148.83 47.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.04 135.03 34.58 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.245 1.021 . . . . 0.0 110.204 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.57 151.97 20.97 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' B' ' 31' ' ' GLU . 38.2 mttm -43.8 -51.14 7.55 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.685 -1.259 . . . . 0.0 109.519 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -48.85 -13.46 0.05 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.462 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 29' ' ' LYS . 43.4 mt-10 -101.37 -40.39 7.12 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.564 -0.71 . . . . 0.0 109.477 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.8 -47.44 69.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -72.54 -35.8 68.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.564 -1.335 . . . . 0.0 108.609 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -76.31 -31.69 58.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.093 -1.005 . . . . 0.0 109.85 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 30.7 tp -69.71 -29.38 66.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.32 -38.78 27.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.419 ' O ' ' OG ' ' B' ' 41' ' ' SER . 1.4 t30 -85.45 -27.69 25.56 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.178 -0.951 . . . . 0.0 111.738 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -86.73 -46.8 9.68 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.584 -1.322 . . . . 0.0 113.343 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' B' ' 41' ' ' SER . 5.5 tp10 -110.86 -48.32 3.14 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.678 -1.263 . . . . 0.0 109.653 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.67 27.89 0.28 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.486 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.06 -16.62 40.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.861 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.47 -24.13 14.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.837 -1.164 . . . . 0.0 110.156 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.7 -51.07 3.53 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.307 -0.871 . . . . 0.0 108.705 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -90.78 140.2 30.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.054 -1.029 . . . . 0.0 108.495 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -48.33 131.59 16.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.711 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -59.85 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.543 -0.723 . . . . 0.0 110.013 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 47' ' ' ILE . 2.1 mt -63.5 125.58 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -107.65 -17.87 13.98 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.568 -0.708 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.76 148.42 23.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.45 -28.97 14.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.3 -0.875 . . . . 0.0 109.726 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.38 -29.36 6.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.2 -0.938 . . . . 0.0 109.671 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 m -74.81 -37.41 42.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.76 -23.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -79.93 -34.27 39.0 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.4 OUTLIER -77.56 -52.1 9.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.616 -0.677 . . . . 0.0 109.366 179.343 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -49.5 -42.35 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.5 mmt -55.57 -31.74 62.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 55' ' ' LYS . 10.4 tp10 -63.15 -36.97 85.37 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.217 -0.927 . . . . 0.0 109.086 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 m -81.99 -31.78 30.94 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 109.717 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.28 -45.27 7.57 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.198 -0.939 . . . . 0.0 110.893 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' B' ' 57' ' ' MET . 34.6 t0 -55.62 106.54 0.26 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.402 -1.437 . . . . 0.0 109.998 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' A' ' 62' ' ' GLU . 30.6 tt0 -89.63 -47.3 8.04 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 4.8 p30 -76.04 -1.83 27.78 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.66 42.45 90.9 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 107.514 -2.235 . . . . 0.0 107.514 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 32.2 p30 -95.58 -3.56 46.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.607 -0.937 . . . . 0.0 109.926 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 70.73 9.75 66.17 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -129.0 170.06 13.92 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.478 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 27.5 m -127.71 87.54 2.64 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.517 -0.74 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 27.7 t0 -50.49 -175.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.444 -0.785 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 1.1 p90 -75.21 -30.85 60.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.884 -1.135 . . . . 0.0 110.689 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -71.45 -38.12 71.33 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 109.949 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -89.83 -38.03 14.05 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.105 -0.997 . . . . 0.0 108.971 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.98 -46.12 68.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.882 -1.136 . . . . 0.0 108.343 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -45.3 83.47 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -52.02 -18.5 1.42 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.492 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -74.9 -55.43 5.79 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 108.871 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' B' ' 81' ' ' THR . 75.2 t -55.48 -33.03 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.083 -1.011 . . . . 0.0 108.746 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 38.2 p -65.28 -33.96 77.21 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.754 0.788 . . . . 0.0 109.125 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.71 -28.47 62.69 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.15 -35.19 9.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 18.4 m -69.23 -36.19 76.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 11.8 p -65.22 -40.91 94.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.526 -0.87 . . . . 0.0 111.204 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.4 69.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.531 -1.355 . . . . 0.0 108.646 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.09 -20.09 62.38 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.544 -0.722 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' B' ' 89' ' ' GLU . 62.7 t60 -105.27 -30.56 9.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.466 -0.771 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -75.33 -48.81 21.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.069 -1.019 . . . . 0.0 109.486 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -72.51 -29.76 63.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.775 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -79.39 -36.01 39.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.137 -0.977 . . . . 0.0 109.552 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' B' ' 85' ' ' HIS . 70.4 tt0 -68.52 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.15 -0.969 . . . . 0.0 108.517 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -72.34 99.26 2.38 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 108.902 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.522 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.522 ' H ' ' HG ' ' A' ' 1' ' ' SER . 3.6 p -86.32 84.42 7.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.21 -22.03 16.17 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.61 -26.72 58.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 110.211 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -76.97 -20.87 55.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.666 -1.271 . . . . 0.0 108.383 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -75.14 -50.6 15.77 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.75 21.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.0 110.956 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtt -52.64 -36.5 56.76 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.559 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.88 -41.13 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.668 -1.27 . . . . 0.0 109.581 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.75 76.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.3 mp -77.82 -45.05 25.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.984 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mm -46.05 -38.52 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.971 -1.081 . . . . 0.0 109.901 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.07 -51.69 17.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.104 -0.997 . . . . 0.0 110.323 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.94 -26.4 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.895 -1.128 . . . . 0.0 108.781 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 31.6 t80 -72.5 -48.79 37.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 109.813 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.449 ' CE1' ' HZ1' ' A' ' 24' ' ' LYS . 3.3 t-160 -78.45 -30.58 47.56 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.012 -1.055 . . . . 0.0 110.71 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -67.55 -40.54 84.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.977 -1.077 . . . . 0.0 110.449 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' A' ' 39' ' ' GLU . 19.1 m-85 -79.11 -52.92 7.54 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 108.975 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' ASP . 21.7 m -56.07 -28.26 56.9 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 1.99 84.45 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -66.65 -50.12 63.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.236 . . . . 0.0 108.617 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -160.24 154.03 22.74 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.63 -136.14 41.69 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 12.7 m-20 -40.3 157.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.973 -0.722 . . . . 0.0 110.174 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' HZ1' ' CE1' ' A' ' 15' ' ' HIS . 19.7 tttm -100.07 -25.07 14.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.526 -0.734 . . . . 0.0 110.333 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -133.2 33.1 3.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.196 -0.94 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.23 146.97 49.15 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 6.9 mp -100.14 136.17 40.45 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 123.03 1.395 . . . . 0.0 110.999 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 33.3 mttm -106.48 157.42 17.67 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 114.135 -1.393 . . . . 0.0 107.961 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 31' ' ' GLU . 27.8 mtmm -43.38 -50.92 6.71 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.324 -0.86 . . . . 0.0 109.49 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.28 -16.08 0.16 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 109.423 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' LYS . 32.1 mt-10 -99.89 -36.71 9.32 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.275 -0.891 . . . . 0.0 109.055 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -51.14 31.41 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.549 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.26 -35.68 73.93 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.036 -1.04 . . . . 0.0 109.66 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -76.75 -31.29 57.0 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.006 -1.058 . . . . 0.0 109.772 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.6 tp -70.45 -39.01 74.56 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.73 -44.44 99.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.302 0.572 . . . . 0.0 109.665 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -81.68 -23.01 37.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.355 -0.841 . . . . 0.0 111.314 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.67 -46.13 11.03 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.587 -1.321 . . . . 0.0 111.69 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 41' ' ' SER . 2.5 mp0 -104.66 -61.18 1.49 Allowed 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.788 -1.195 . . . . 0.0 109.273 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.77 35.76 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.975 -1.078 . . . . 0.0 109.26 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -77.67 -20.1 54.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 108.579 178.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -99.34 -17.75 17.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.295 -0.878 . . . . 0.0 109.193 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.04 -56.5 2.19 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.9 mt -89.86 129.91 36.17 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.89 140.03 31.9 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.51 106.0 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.907 -1.12 . . . . 0.0 109.782 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 pt -70.69 135.47 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.908 -1.12 . . . . 0.0 109.505 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 48' ' ' LYS . 8.8 mtmp? -103.86 -17.65 14.95 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.36 138.74 52.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.52 -14.71 59.6 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.145 -0.972 . . . . 0.0 109.439 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -46.86 -34.95 5.83 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.969 -1.082 . . . . 0.0 110.413 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.12 -37.98 26.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.519 -1.363 . . . . 0.0 107.72 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -23.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -77.5 -32.26 54.07 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -78.1 -55.5 5.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -49.07 -41.95 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.586 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.3 mmm -60.81 -29.05 69.23 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.0 tp10 -67.65 -38.12 83.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 108.449 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.3 m -78.73 -27.91 44.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.49 -0.756 . . . . 0.0 109.416 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.17 -44.35 6.63 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.265 -0.897 . . . . 0.0 111.328 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 57' ' ' MET . 37.1 t0 -56.06 100.93 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.113 -1.617 . . . . 0.0 110.032 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.75 -41.72 11.1 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 1.1 p30 -77.19 -4.75 46.27 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.07 44.35 97.38 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 67' ' ' GLU . 13.0 p30 -99.94 -5.83 27.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.473 -1.016 . . . . 0.0 109.965 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.23 0.86 17.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 65' ' ' ASP . 49.0 mt-10 -120.89 172.72 7.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 16.0 m -127.42 90.43 3.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.035 -1.041 . . . . 0.0 110.894 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' CYS . 20.4 m-20 -52.77 -174.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.094 -1.004 . . . . 0.0 108.568 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -73.9 -31.24 63.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.335 -1.478 . . . . 0.0 111.253 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -76.24 -30.31 57.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.075 -1.016 . . . . 0.0 110.734 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.71 -40.51 12.48 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.671 -1.268 . . . . 0.0 109.004 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 2.0 t80 -58.37 -38.78 77.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.126 0.965 . . . . 0.0 108.581 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 14.7 ttt -77.18 -16.37 59.13 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.87 -22.31 46.21 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.56 -49.8 30.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.74 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' THR . 49.9 t -57.26 -33.31 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.527 -1.358 . . . . 0.0 107.806 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.505 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.8 OUTLIER -63.59 -38.0 89.45 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.209 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttt -68.04 -26.31 65.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.8 t -85.02 -35.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' VAL . 22.2 m -71.63 -36.7 70.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.6 p -66.1 -41.02 91.17 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.301 -0.874 . . . . 0.0 110.877 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.681 -1.262 . . . . 0.0 108.006 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.6 m -76.58 -22.13 54.68 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.387 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 45.8 t60 -87.37 -36.45 17.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.92 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.3 -25.19 51.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.0 109.201 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -64.34 -56.12 16.58 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.25 -0.906 . . . . 0.0 109.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -68.69 -35.07 76.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.933 -1.104 . . . . 0.0 109.507 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 85' ' ' HIS . 90.6 mt-10 -87.99 5.48 40.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.331 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.406 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 16.8 t-80 -53.65 100.16 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.229 -0.92 . . . . 0.0 109.393 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.564 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 40.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.0 p -86.05 84.27 7.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.027 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.1 -22.28 15.89 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -26.53 58.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.621 -0.674 . . . . 0.0 110.359 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -76.65 -21.0 56.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.855 -1.153 . . . . 0.0 108.409 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -75.34 -50.6 15.49 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.44 34.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 111.148 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.13 -36.53 60.9 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 110.454 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -76.54 -42.09 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.899 -1.126 . . . . 0.0 109.594 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.74 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.612 -0.68 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -77.68 -45.27 25.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.825 -1.172 . . . . 0.0 109.896 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -46.08 -37.94 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.935 -1.103 . . . . 0.0 109.868 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.5 -51.93 15.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.931 -1.105 . . . . 0.0 110.315 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.82 -26.66 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 108.691 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 10' ' ' LEU . 29.9 t80 -71.67 -49.53 38.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.342 -0.849 . . . . 0.0 109.725 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.564 ' CE1' ' HZ1' ' B' ' 24' ' ' LYS . 3.3 t-160 -78.19 -30.67 49.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.143 -0.973 . . . . 0.0 110.821 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -67.31 -40.07 85.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.933 -1.104 . . . . 0.0 110.133 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.474 ' OH ' ' OE1' ' B' ' 39' ' ' GLU . 20.5 m-85 -79.6 -52.92 7.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.48 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.1 m -56.04 -28.38 57.19 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.01 1.76 85.12 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.21 -50.05 62.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.05 -1.264 . . . . 0.0 108.681 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -159.46 154.83 25.49 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.09 -135.65 45.91 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 13.5 m-20 -40.33 158.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.872 -0.781 . . . . 0.0 110.32 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.564 ' HZ1' ' CE1' ' B' ' 15' ' ' HIS . 18.2 tttm -100.79 -23.55 14.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.664 -0.647 . . . . 0.0 110.145 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -134.63 32.65 3.29 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.842 -1.161 . . . . 0.0 110.646 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 146.93 49.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.53 136.58 40.19 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 122.815 1.293 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.6 mttm -107.07 158.2 17.24 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.974 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' B' ' 31' ' ' GLU . 29.6 mtmm -43.93 -50.48 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -48.75 -16.61 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.54 -0.725 . . . . 0.0 109.414 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' B' ' 28' ' ' LYS . 30.1 mt-10 -99.84 -37.49 9.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.256 -0.902 . . . . 0.0 108.898 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.79 -51.16 36.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.185 -0.947 . . . . 0.0 109.827 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.01 -35.95 74.75 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.025 -1.047 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.06 -31.05 55.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.085 -1.01 . . . . 0.0 110.047 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 20.4 tp -70.05 -39.4 75.73 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.62 -44.9 99.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.015 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -81.21 -23.03 38.4 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 111.358 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.34 -46.0 11.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.619 -1.3 . . . . 0.0 111.548 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 41' ' ' SER . 2.9 mp0 -105.44 -60.64 1.59 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.802 -1.186 . . . . 0.0 109.402 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.401 ' H ' ' CD2' ' B' ' 40' ' ' LEU . 1.9 mm? -74.83 35.44 0.1 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.155 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -77.78 -19.88 54.28 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.955 . . . . 0.0 108.704 178.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -98.69 -19.53 17.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.223 -0.923 . . . . 0.0 109.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.02 -55.59 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -90.8 129.8 36.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.223 -0.923 . . . . 0.0 108.891 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.04 139.4 28.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -66.48 106.46 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.924 -1.11 . . . . 0.0 109.638 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 pt -71.39 135.33 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.837 -1.164 . . . . 0.0 109.498 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 9.0 mtmp? -103.59 -17.47 15.15 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -118.37 138.12 52.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -76.88 -14.87 59.84 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 109.619 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -47.1 -34.54 6.06 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.028 -1.045 . . . . 0.0 110.24 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 m -77.43 -37.74 25.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.562 -1.336 . . . . 0.0 107.59 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -23.57 32.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 178.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.8 -33.02 52.72 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -77.57 -55.45 5.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.7 p -48.93 -42.43 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.581 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.3 mmm -60.14 -29.48 68.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 7.0 tp10 -67.31 -38.11 84.44 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.133 -0.979 . . . . 0.0 108.503 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.6 m -78.95 -27.7 43.6 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.34 -44.18 6.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.244 -0.91 . . . . 0.0 111.193 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.6 t0 -55.98 100.44 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 119.976 -1.703 . . . . 0.0 110.016 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.8 -41.71 11.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.6 -4.03 40.82 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.26 44.06 96.77 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' B' ' 67' ' ' GLU . 15.5 p30 -100.02 -5.48 28.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.391 -1.064 . . . . 0.0 110.016 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.22 0.91 17.86 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' B' ' 65' ' ' ASP . 49.6 mt-10 -121.23 173.72 7.14 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.581 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 21.7 m -128.01 90.25 3.06 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.219 -0.925 . . . . 0.0 110.898 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 68' ' ' CYS . 19.3 m-20 -52.73 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 0.0 108.51 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -73.2 -31.65 64.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.562 -1.336 . . . . 0.0 111.292 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -75.74 -30.84 59.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.909 -1.119 . . . . 0.0 110.676 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -89.92 -40.1 12.6 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.703 -1.248 . . . . 0.0 108.965 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' B' ' 73' ' ' PHE . 2.1 t80 -58.13 -38.93 77.46 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 12.8 ttt -77.16 -16.41 59.14 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.6 46.3 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.31 -49.62 33.1 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.523 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 81' ' ' THR . 47.8 t -57.68 -32.75 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.641 -1.287 . . . . 0.0 107.891 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.519 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.7 OUTLIER -63.85 -38.24 90.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.8 ttt -67.71 -26.73 66.31 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 53.7 t -84.99 -35.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 77' ' ' VAL . 18.1 m -71.81 -36.45 70.25 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 32.1 p -66.11 -40.34 90.66 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.133 -0.979 . . . . 0.0 110.887 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.51 69.84 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.711 -1.243 . . . . 0.0 107.814 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 66.5 m -77.12 -21.47 54.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.233 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.488 ' CE1' ' OE2' ' B' ' 89' ' ' GLU . 44.2 t60 -87.46 -36.83 17.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.184 -0.948 . . . . 0.0 109.163 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.8 -25.11 48.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.392 -0.818 . . . . 0.0 109.386 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.07 -55.64 20.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.61 -34.04 73.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' CE1' ' B' ' 85' ' ' HIS . 92.7 mt-10 -87.89 3.33 48.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 109.474 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -52.6 100.11 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.185 -0.947 . . . . 0.0 109.554 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.509 179.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 p -81.62 77.7 8.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.168 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -50.27 -34.29 22.82 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.638 -0.664 . . . . 0.0 109.5 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.5 mt -72.81 -16.57 61.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.931 -1.106 . . . . 0.0 110.178 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.57 -32.06 60.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.606 -1.308 . . . . 0.0 107.695 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.58 -44.73 77.49 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.38 79.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 109.799 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -54.97 -41.37 71.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.35 -0.843 . . . . 0.0 109.845 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.91 -43.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.634 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.76 -32.1 73.17 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.94 -49.54 11.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 110.521 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG21 HD13 ' A' ' 11' ' ' ILE . 51.7 mt -46.79 -30.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.919 -1.113 . . . . 0.0 109.426 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -75.24 -51.5 13.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.69 -26.71 18.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.36 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 8.2 t80 -72.37 -46.76 53.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.95 . . . . 0.0 109.577 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -75.87 -32.82 59.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.941 . . . . 0.0 110.525 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.13 -38.39 85.47 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.964 -1.085 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 34.4 m-85 -90.16 -59.67 2.13 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.003 -1.061 . . . . 0.0 109.325 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.413 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m -51.62 -25.16 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.157 -0.964 . . . . 0.0 108.628 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.72 -0.39 55.3 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 34' ' ' GLU . 21.3 ttt85 -58.42 -40.57 82.84 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.668 -1.489 . . . . 0.0 108.908 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.02 165.08 37.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.481 -0.762 . . . . 0.0 109.985 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -161.9 23.35 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -46.86 -81.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.474 -1.016 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 3.5 tmtm? -172.97 -8.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 109.063 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 16.8 m-70 -155.52 46.94 0.5 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.079 -1.013 . . . . 0.0 110.181 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -127.1 144.98 50.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.033 -1.042 . . . . 0.0 108.429 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.73 124.97 39.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.191 -0.943 . . . . 0.0 110.704 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 30.2 mttm -111.38 156.33 21.77 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' GLU . 19.4 ttpp -46.59 -47.64 19.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.805 -1.184 . . . . 0.0 110.402 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -46.46 -12.46 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 0.0 110.758 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' LYS . 6.3 mt-10 -101.14 -36.91 8.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.15 -0.969 . . . . 0.0 108.388 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -58.39 8.76 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 109.082 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.39 -34.44 77.97 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.238 -0.913 . . . . 0.0 109.649 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 20' ' ' ARG . 65.7 tt0 -78.36 -34.75 48.2 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.101 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.0 tp -71.21 -32.81 69.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.202 -0.936 . . . . 0.0 108.996 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 36' ' ' ILE . 78.8 mt -75.05 -36.23 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.655 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' N ' HD21 ' A' ' 37' ' ' ASN . 2.7 m120 -82.09 -23.35 35.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.7 -44.14 7.24 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.061 -1.024 . . . . 0.0 111.86 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 41' ' ' SER . 25.6 mm-40 -103.52 -63.98 1.13 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.002 -1.061 . . . . 0.0 110.416 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.8 37.04 0.17 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 -179.444 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -91.83 -21.9 20.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.924 -1.11 . . . . 0.0 109.507 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -91.31 -22.51 20.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -49.73 3.68 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' LEU . 6.3 mp -102.66 130.03 49.45 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.85 141.78 16.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.873 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.82 104.5 2.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.286 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.9 pt -57.57 138.82 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.969 -1.082 . . . . 0.0 109.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -104.84 -17.85 14.43 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.43 139.01 52.07 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' ASP . 2.6 pt20 -76.01 -18.89 59.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -42.14 -40.46 2.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.111 -0.993 . . . . 0.0 111.287 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.4 -36.91 37.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.672 -1.268 . . . . 0.0 108.03 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -68.63 -23.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 178.561 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 m-20 -76.08 -33.07 59.54 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.54 17.85 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -40.05 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.826 -1.172 . . . . 0.0 108.357 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.6 mtt -64.54 -36.08 83.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.449 -0.782 . . . . 0.0 109.234 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -62.99 -29.3 70.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 108.989 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.8 m -87.79 -31.43 19.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.522 -0.736 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.18 -44.53 7.59 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.134 -0.979 . . . . 0.0 110.765 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' MET . 1.4 m-20 -55.37 111.45 0.88 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.491 -1.38 . . . . 0.0 110.262 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.07 -42.52 16.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 11.9 p30 -83.18 -1.91 54.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.86 43.54 94.71 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 107.604 -2.198 . . . . 0.0 107.604 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -95.37 -4.66 44.91 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.633 -0.922 . . . . 0.0 109.933 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 71.73 5.83 61.69 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.923 -2.071 . . . . 0.0 107.923 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -129.43 163.27 26.19 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' ASP . 3.3 m -127.24 98.63 5.35 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.325 -0.859 . . . . 0.0 111.163 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 18.8 t0 -53.91 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -77.16 -36.88 54.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.17 -1.582 . . . . 0.0 110.903 -179.01 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' OE1' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.1 -28.84 62.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.838 -1.164 . . . . 0.0 109.601 -178.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -89.9 -42.88 10.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -51.89 -42.77 62.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 108.829 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -43.77 98.19 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.71 -19.32 2.32 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.553 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -74.92 -55.37 5.85 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.311 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 81' ' ' THR . 52.2 t -55.53 -32.13 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.944 -1.097 . . . . 0.0 108.104 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 82' ' ' THR . 12.9 t -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.71 -32.07 57.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.783 -0.573 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -33.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 32.0 m -67.87 -38.82 83.58 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.4 p -61.34 -40.04 92.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.922 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.22 91.83 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.726 -1.234 . . . . 0.0 108.27 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.9 t -63.13 -24.77 68.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.646 -0.822 . . . . 0.0 108.957 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -96.35 -32.9 12.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.382 -0.824 . . . . 0.0 109.529 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -78.88 -43.76 24.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.62 -40.3 78.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.081 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.44 -41.57 65.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.875 . . . . 0.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -82.93 16.84 2.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.491 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -69.59 100.99 1.53 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.935 . . . . 0.0 109.366 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.486 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 p -81.63 77.81 8.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -0.934 . . . . 0.0 109.208 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.3 -34.26 22.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.83 -16.59 61.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.112 . . . . 0.0 110.169 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.54 -32.1 60.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.56 -1.337 . . . . 0.0 107.707 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.57 -44.51 78.03 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.18 79.16 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -55.06 -41.43 71.47 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 109.711 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.77 -43.6 40.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 109.645 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.93 73.11 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.302 -0.874 . . . . 0.0 109.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 14' ' ' PHE . 1.1 mt -79.98 -49.51 11.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.003 -1.06 . . . . 0.0 110.562 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 52.9 mt -46.81 -30.76 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.837 -1.164 . . . . 0.0 109.45 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -75.13 -51.59 13.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 0.0 109.443 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.62 -26.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.163 -0.961 . . . . 0.0 109.318 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.3 t80 -72.18 -46.89 54.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 109.571 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -75.97 -32.73 59.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.136 -0.978 . . . . 0.0 110.526 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.21 -38.41 85.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.003 -1.061 . . . . 0.0 109.793 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 34.6 m-85 -90.13 -59.68 2.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.346 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.407 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 4.0 m -51.42 -25.33 6.09 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.213 -0.929 . . . . 0.0 108.659 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.33 55.37 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' ' OE2' ' B' ' 34' ' ' GLU . 21.3 ttt85 -58.45 -40.54 82.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.727 -1.455 . . . . 0.0 108.96 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.0 165.1 37.1 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.486 -0.759 . . . . 0.0 110.031 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.27 -161.93 23.47 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -46.82 -81.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.394 -1.062 . . . . 0.0 109.292 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.469 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 3.6 tmtm? -172.91 -8.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.035 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 17.4 m-70 -155.59 46.93 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 110.227 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -127.16 145.0 50.91 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.098 -1.002 . . . . 0.0 108.378 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.79 125.02 40.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.276 -0.89 . . . . 0.0 110.738 -178.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -111.36 156.2 21.94 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.4 ttpp -46.56 -47.61 19.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 110.307 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.0 m -46.36 -12.56 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.158 -0.964 . . . . 0.0 110.797 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' B' ' 35' ' ' LEU . 6.4 mt-10 -101.22 -36.74 8.81 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -58.4 8.69 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.349 -0.845 . . . . 0.0 109.031 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.31 -34.36 77.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.001 . . . . 0.0 109.779 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' B' ' 20' ' ' ARG . 65.9 tt0 -78.52 -34.65 47.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.966 . . . . 0.0 110.049 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 31' ' ' GLU . 54.6 tp -71.29 -32.72 68.99 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 108.967 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -75.02 -36.35 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' ND2' ' B' ' 37' ' ' ASN . 2.7 m120 -82.18 -23.26 35.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.274 -0.891 . . . . 0.0 110.755 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.68 -44.22 7.21 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.088 -1.008 . . . . 0.0 111.779 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' B' ' 41' ' ' SER . 25.5 mm-40 -103.52 -63.92 1.14 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.903 -1.123 . . . . 0.0 110.429 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 44' ' ' LEU . 0.6 OUTLIER -76.88 37.16 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.53 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -91.98 -21.68 20.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.8 -1.188 . . . . 0.0 109.537 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -91.37 -22.62 20.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 108.95 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.09 -49.66 3.7 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.2 mp -102.79 130.08 49.66 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.76 141.54 16.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.118 -0.989 . . . . 0.0 108.96 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.61 104.46 2.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 pt -57.59 138.89 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.941 -1.099 . . . . 0.0 109.119 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -104.96 -17.71 14.43 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.54 139.1 51.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' B' ' 53' ' ' VAL . 2.6 pt20 -76.21 -18.82 58.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.883 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 50' ' ' GLN . 68.2 tt0 -42.13 -40.38 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.14 -0.975 . . . . 0.0 111.221 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 m -75.52 -36.98 36.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 120.674 -1.266 . . . . 0.0 108.004 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -68.5 -23.71 28.44 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' B' ' 50' ' ' GLN . 6.5 m-20 -76.21 -33.03 59.26 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.48 17.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -40.15 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.708 -1.245 . . . . 0.0 108.385 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.423 ' O ' ' N ' ' B' ' 61' ' ' ASP . 14.8 mtt -64.4 -36.31 83.73 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.458 -0.776 . . . . 0.0 109.218 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.86 -29.37 70.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -0.905 . . . . 0.0 108.925 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 57.6 m -87.82 -31.31 19.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.513 -0.742 . . . . 0.0 109.706 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.2 -44.66 7.52 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.057 -1.027 . . . . 0.0 110.732 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 1.4 m-20 -55.43 111.53 0.9 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.496 -1.377 . . . . 0.0 110.216 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -84.02 -42.58 16.03 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 11.8 p30 -83.11 -1.93 54.11 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.84 43.49 94.7 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 107.578 -2.209 . . . . 0.0 107.578 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 39.5 p-10 -95.3 -4.85 44.83 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.68 -0.894 . . . . 0.0 109.924 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.412 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 71.9 5.72 62.06 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.41 163.32 26.08 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 3.3 m -127.26 98.65 5.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.366 -0.834 . . . . 0.0 111.254 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CE1' ' B' ' 70' ' ' PHE . 18.9 t0 -53.8 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -77.2 -36.81 54.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.256 -1.528 . . . . 0.0 110.941 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -73.16 -28.94 62.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.901 -1.124 . . . . 0.0 109.572 -178.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -89.66 -43.02 11.02 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.88 -42.72 62.9 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.177 -0.952 . . . . 0.0 108.868 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -43.85 98.01 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.73 -19.34 2.36 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.487 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -74.83 -55.37 5.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.94 -1.1 . . . . 0.0 108.333 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.448 ' O ' ' OG1' ' B' ' 81' ' ' THR . 51.1 t -55.57 -32.18 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.463 ' O ' ' CG2' ' B' ' 82' ' ' THR . 12.3 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.75 -32.07 57.52 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.763 -0.586 . . . . 0.0 109.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -33.39 7.13 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 30.5 m -67.95 -38.93 83.42 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' B' ' 78' ' ' SER . 7.5 p -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.919 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.13 91.73 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.817 -1.177 . . . . 0.0 108.366 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 t -63.21 -24.82 68.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.655 -0.818 . . . . 0.0 108.944 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -96.27 -32.94 12.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 82' ' ' THR . 39.3 tt0 -78.96 -43.68 24.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.64 -40.33 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.371 -0.831 . . . . 0.0 109.098 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.45 -41.52 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -83.07 16.93 2.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.0 109.498 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -69.6 100.97 1.53 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.093 -1.004 . . . . 0.0 109.404 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.579 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.563 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p -78.39 81.84 4.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.241 -0.912 . . . . 0.0 109.07 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 17.2 mp0 -53.1 -33.35 51.83 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.616 -0.677 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -21.87 61.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -75.85 -33.86 60.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.929 -1.107 . . . . 0.0 109.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -70.02 -45.3 67.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.32 29.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 110.105 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt -50.33 -39.96 47.54 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 109.655 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -72.95 -42.91 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.332 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.06 76.16 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.917 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 9.8 mp -80.21 -47.96 13.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.928 -1.107 . . . . 0.0 110.778 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.4 mt -44.79 -28.56 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.873 -1.142 . . . . 0.0 109.616 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.81 -51.25 9.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.961 . . . . 0.0 109.29 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 t -74.19 -26.21 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.9 t80 -71.69 -45.4 62.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.512 -0.743 . . . . 0.0 109.835 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.03 -35.02 50.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.891 -1.131 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.89 -40.45 83.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.103 -0.998 . . . . 0.0 110.616 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -87.63 -57.18 3.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.879 -1.138 . . . . 0.0 109.241 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HG ' ' C ' ' A' ' 25' ' ' HIS . 4.5 t -53.36 -21.55 5.97 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.779 -1.2 . . . . 0.0 107.817 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.09 1.35 54.79 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.87 -42.48 89.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.8 -1.412 . . . . 0.0 108.338 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -150.86 170.23 19.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 -163.73 26.83 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -51.06 -69.54 0.11 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -1.224 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -171.92 -8.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 0.0 109.308 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.503 ' C ' ' HG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -163.45 68.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.0 109.697 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' N ' ' OG ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -135.81 141.41 44.72 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.238 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 6.7 tt -92.49 119.47 32.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.379 -1.451 . . . . 0.0 110.311 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' LYS . 63.2 mttm -108.71 151.39 26.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 31' ' ' GLU . 24.9 ttpt -43.39 -50.7 6.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.129 -0.982 . . . . 0.0 109.937 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.36 -12.58 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 109.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 29' ' ' LYS . 58.5 mt-10 -99.07 -38.99 8.73 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -61.52 2.2 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.677 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.54 -35.44 74.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.752 -1.217 . . . . 0.0 110.09 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.62 -33.42 58.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.961 -1.087 . . . . 0.0 109.439 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' GLU . 45.4 tp -73.82 -32.26 63.63 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.2 mm -65.95 -42.24 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.422 -0.798 . . . . 0.0 109.344 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.79 -22.19 40.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.643 -0.66 . . . . 0.0 112.125 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.58 -23.29 17.71 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.502 -1.374 . . . . 0.0 112.787 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -130.57 -50.32 1.07 Allowed 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.839 -1.163 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 28.13 0.55 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -81.63 -17.14 49.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.823 -1.173 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -98.12 -16.47 19.53 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.993 -1.067 . . . . 0.0 109.562 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.18 -33.53 6.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.586 -0.696 . . . . 0.0 109.422 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 132.72 49.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' ILE . 25.3 mp0 -49.78 135.58 19.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.81 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.739 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 45' ' ' GLU . 19.0 mt -69.55 123.74 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -120.14 -15.11 8.76 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -105.85 139.4 40.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -79.71 -23.42 42.38 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.14 -38.5 5.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 111.03 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.99 -38.45 43.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -63.48 -24.88 37.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -77.98 -35.77 49.77 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -50.38 13.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.464 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.4 p -53.18 -41.04 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.601 -1.312 . . . . 0.0 108.007 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 13.3 mmm -64.85 -33.84 76.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.682 -0.637 . . . . 0.0 109.556 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -64.32 -36.55 84.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.092 -1.005 . . . . 0.0 109.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -80.45 -31.18 37.49 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.356 -0.84 . . . . 0.0 109.539 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.31 -43.59 9.7 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.216 -0.928 . . . . 0.0 111.045 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.04 111.66 0.89 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.364 -1.46 . . . . 0.0 110.019 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 62' ' ' GLU . 2.3 tm-20 -86.82 -43.09 12.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 2.9 p30 -82.97 -1.64 53.01 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.74 42.83 91.75 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 107.441 -2.264 . . . . 0.0 107.441 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 67' ' ' GLU . 42.6 p-10 -92.97 -5.17 51.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.886 . . . . 0.0 109.809 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.42 0.78 48.83 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' A' ' 65' ' ' ASP . 90.7 mt-10 -127.56 163.19 24.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.499 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 91.3 m -127.4 101.5 6.48 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.351 -0.843 . . . . 0.0 111.865 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 8.1 t70 -55.84 -169.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -78.72 -32.81 46.98 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.048 -1.033 . . . . 0.0 110.928 -179.205 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -69.33 -38.65 78.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.13 -0.981 . . . . 0.0 110.238 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 15.4 tt0 -88.36 -39.1 14.59 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.198 -0.939 . . . . 0.0 109.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.2 t80 -53.75 -42.52 68.29 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.932 -1.105 . . . . 0.0 109.143 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -63.37 -41.9 98.84 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.71 3.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.145 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.37 -48.45 41.6 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 118.888 -1.125 . . . . 0.0 108.29 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -55.89 -35.92 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -65.39 -33.86 76.96 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.936 0.874 . . . . 0.0 108.991 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.48 -27.97 61.68 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.04 -35.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -66.97 -38.41 86.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 85' ' ' HIS . 16.2 p -62.5 -43.53 98.59 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.178 -0.951 . . . . 0.0 110.173 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.92 -35.35 58.25 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.311 -1.493 . . . . 0.0 108.294 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.68 -13.89 62.25 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.461 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 82' ' ' THR . 9.1 t-160 -98.27 -37.55 9.62 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.43 -0.794 . . . . 0.0 109.533 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 90' ' ' HIS . 23.3 mt-10 -75.0 -45.24 43.29 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.919 -1.113 . . . . 0.0 108.823 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.41 -51.4 35.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.575 -0.703 . . . . 0.0 109.512 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -64.78 -25.32 67.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.705 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' CD ' ' NE2' ' A' ' 85' ' ' HIS . 89.4 mt-10 -98.38 -5.16 33.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.246 -0.909 . . . . 0.0 109.654 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.3 t60 -63.4 100.35 0.25 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.698 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.505 -179.846 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.555 ' N ' ' SD ' ' B' ' 0' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p -78.4 82.1 4.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.095 -1.003 . . . . 0.0 109.111 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 17.7 mp0 -53.05 -33.53 52.34 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.498 0.666 . . . . 0.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -21.98 61.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 110.054 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -75.8 -33.81 60.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.944 -1.098 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -70.09 -45.24 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 0.0 109.257 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.37 29.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.8 mtt -50.47 -39.81 49.1 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.316 -0.865 . . . . 0.0 109.625 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 37.9 t -73.07 -42.93 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.071 -1.018 . . . . 0.0 109.409 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.08 75.96 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.54 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 9.8 mp -80.25 -48.01 13.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.806 -1.184 . . . . 0.0 110.693 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.5 mt -44.73 -28.43 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.771 -1.206 . . . . 0.0 109.682 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.08 -51.15 9.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.15 -26.21 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 109.115 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.9 t80 -71.66 -45.33 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.07 -35.32 49.66 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.989 -1.069 . . . . 0.0 110.341 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.58 -40.65 84.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.586 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -87.44 -57.32 2.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.756 -1.215 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.502 ' HG ' ' C ' ' B' ' 26' ' ' LYS . 4.3 t -53.35 -21.37 5.65 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.78 -1.2 . . . . 0.0 107.836 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.19 1.29 54.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.92 -42.43 89.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.742 -1.446 . . . . 0.0 108.368 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -150.64 170.45 19.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.603 -0.685 . . . . 0.0 109.205 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.04 -163.82 26.99 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -51.09 -69.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 109.279 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -171.93 -8.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.264 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.45 68.14 0.19 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.241 -0.912 . . . . 0.0 109.63 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.502 ' C ' ' HG ' ' B' ' 18' ' ' SER . 0.5 OUTLIER -135.79 141.36 44.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 6.7 tt -92.61 119.44 32.05 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.395 -1.441 . . . . 0.0 110.276 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -108.66 151.32 26.32 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' B' ' 31' ' ' GLU . 24.0 ttpt -43.56 -50.43 7.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.189 -0.944 . . . . 0.0 109.908 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.55 -12.58 0.1 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.196 -0.94 . . . . 0.0 109.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' B' ' 29' ' ' LYS . 58.9 mt-10 -99.04 -38.86 8.79 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.41 -61.3 2.31 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.707 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -59.74 -35.3 74.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.722 -1.236 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.75 -33.3 58.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.87 -1.144 . . . . 0.0 109.44 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 45.6 tp -73.85 -32.5 63.69 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' B' ' 32' ' ' LEU . 1.2 mm -65.71 -42.21 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.451 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.8 -22.28 40.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.608 -0.682 . . . . 0.0 112.152 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.57 -23.34 17.7 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.471 -1.393 . . . . 0.0 112.828 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.49 -50.31 1.07 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.905 -1.122 . . . . 0.0 110.039 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 28.1 0.56 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -81.58 -17.24 49.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.848 -1.158 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -98.11 -16.45 19.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.94 -1.1 . . . . 0.0 109.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.22 -33.43 6.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 0.0 109.47 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.98 132.79 49.89 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' B' ' 47' ' ' ILE . 25.0 mp0 -49.82 135.75 19.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.078 -1.013 . . . . 0.0 109.218 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.92 90.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.42 -0.8 . . . . 0.0 109.743 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' B' ' 45' ' ' GLU . 18.8 mt -69.64 123.71 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.124 -0.985 . . . . 0.0 108.497 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -120.09 -15.13 8.78 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.93 139.13 40.95 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -79.39 -23.62 43.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.0 -38.62 4.9 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 111.039 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.5 m -74.95 -38.37 43.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.605 -1.309 . . . . 0.0 107.508 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.432 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -63.62 -24.85 36.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.86 -35.88 50.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.46 13.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.373 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -53.19 -41.09 41.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.724 -1.235 . . . . 0.0 107.975 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' B' ' 53' ' ' VAL . 13.9 mmm -64.94 -33.76 76.79 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.596 -0.69 . . . . 0.0 109.643 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.35 -36.5 84.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.168 -0.957 . . . . 0.0 109.099 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.1 m -80.52 -30.98 37.18 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.606 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.35 -43.69 9.61 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.144 -0.973 . . . . 0.0 110.894 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.0 111.6 0.87 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.407 -1.433 . . . . 0.0 110.08 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' B' ' 62' ' ' GLU . 2.2 tm-20 -86.92 -42.98 12.75 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.03 -1.53 52.91 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.79 42.59 91.78 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 107.435 -2.266 . . . . 0.0 107.435 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -92.93 -5.24 51.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.661 -0.906 . . . . 0.0 109.894 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.8 0.43 49.92 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -127.63 163.22 24.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' OE2' ' B' ' 72' ' ' GLU . 88.8 m -127.46 101.43 6.43 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.851 . . . . 0.0 111.829 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 8.1 t70 -55.85 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -78.5 -32.93 48.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.981 -1.074 . . . . 0.0 111.005 -179.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.32 -38.55 78.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.287 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.494 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 15.5 tt0 -88.43 -39.18 14.45 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.189 -0.944 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.567 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.3 t80 -53.7 -42.68 68.28 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.918 -1.114 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -63.19 -41.94 99.27 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 178.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.74 -24.93 3.78 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.15 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.37 -48.33 42.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.885 -1.134 . . . . 0.0 108.286 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.87 -35.73 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 70' ' ' PHE . 7.2 t -65.63 -33.72 76.56 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.873 0.844 . . . . 0.0 109.011 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.56 -27.85 61.54 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -87.01 -35.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.5 m -66.97 -38.4 86.0 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.526 ' O ' ' N ' ' B' ' 85' ' ' HIS . 16.2 p -62.59 -43.4 98.89 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.174 -0.954 . . . . 0.0 110.174 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.59 57.03 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.356 -1.465 . . . . 0.0 108.239 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.57 -13.9 62.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.522 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' B' ' 82' ' ' THR . 9.0 t-160 -98.24 -37.69 9.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.447 -0.783 . . . . 0.0 109.489 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 90' ' ' HIS . 24.0 mt-10 -74.93 -45.12 44.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.895 -1.128 . . . . 0.0 108.872 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.45 -51.49 35.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.642 -0.661 . . . . 0.0 109.516 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.88 -25.12 67.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.624 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -98.45 -5.19 32.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.274 -0.891 . . . . 0.0 109.639 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 86' ' ' GLU . 2.3 t60 -63.51 100.3 0.26 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.713 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.569 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.4 p -130.04 -164.18 1.39 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.265 -0.897 . . . . 0.0 109.875 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.88 -26.37 5.75 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.75 -27.32 40.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.055 -1.028 . . . . 0.0 109.196 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -75.01 -29.26 60.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.859 -1.15 . . . . 0.0 108.913 179.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -69.42 -46.49 66.68 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -54.75 35.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.473 -0.767 . . . . 0.0 110.438 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 7.3 mtm -52.96 -37.73 61.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -75.82 -42.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.958 -1.089 . . . . 0.0 108.91 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.21 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.253 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.3 mp -80.26 -48.84 12.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.715 -1.241 . . . . 0.0 110.867 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.32 -28.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.847 -1.158 . . . . 0.0 109.536 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.28 -51.66 9.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 109.566 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -76.11 -27.05 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.067 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 25' ' ' HIS . 3.1 t80 -73.22 -43.08 61.86 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.126 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -78.04 -29.79 49.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.928 -1.108 . . . . 0.0 110.857 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -67.15 -34.33 77.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.905 -1.122 . . . . 0.0 110.282 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 29.5 m-85 -90.67 -56.58 3.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 108.802 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 3.3 t -53.37 -21.73 6.31 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.135 -0.978 . . . . 0.0 108.527 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.73 -1.9 56.32 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -60.84 -43.49 98.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.928 -1.337 . . . . 0.0 109.197 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' C ' ' HZ3' ' A' ' 28' ' ' LYS . 4.8 pt-20 -164.25 173.86 11.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -162.19 25.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.76 -82.75 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.252 -1.146 . . . . 0.0 109.521 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -171.31 -9.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.294 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 1.9 t60 -160.24 53.23 0.33 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.628 -1.295 . . . . 0.0 110.723 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' N ' ' OG ' ' A' ' 18' ' ' SER . 1.5 tppp? -136.78 147.94 46.93 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 1.8 tt -87.05 125.81 34.35 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.893 -1.129 . . . . 0.0 109.822 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HZ3' ' C ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -102.99 146.7 27.94 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 31' ' ' GLU . 44.9 mtmt -47.17 -46.9 24.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.372 -1.455 . . . . 0.0 109.107 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -49.33 -14.03 0.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.102 -0.999 . . . . 0.0 108.977 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 35' ' ' LEU . 88.6 mt-10 -101.93 -36.6 8.57 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -47.69 70.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.82 -1.175 . . . . 0.0 108.922 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -69.81 -37.5 76.27 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.39 -33.74 48.6 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.228 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 31' ' ' GLU . 15.3 tp -71.76 -32.62 67.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 36' ' ' ILE . 59.5 mt -74.29 -37.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.476 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.84 -23.72 33.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.261 -0.899 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 1.7 m-20 -97.97 -44.33 6.71 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.913 -1.117 . . . . 0.0 111.817 -177.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 41' ' ' SER . 56.8 mm-40 -100.19 -70.19 0.74 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.019 -1.05 . . . . 0.0 109.918 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.37 39.33 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 108.774 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.6 t -86.75 -22.1 26.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.518 -1.364 . . . . 0.0 110.216 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -94.64 -17.49 22.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 0.0 110.235 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -109.88 -44.57 3.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.37 133.45 42.75 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.143 -0.973 . . . . 0.0 109.019 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.28 135.14 33.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.62 103.85 0.73 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.92 139.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.96 -1.087 . . . . 0.0 108.918 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -119.01 -11.08 9.71 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.26 119.06 34.54 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' NE2' ' H ' ' A' ' 51' ' ' GLU . 1.7 pm0 -58.08 -21.37 45.64 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.425 -0.797 . . . . 0.0 110.265 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.621 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 39.8 tt0 -42.12 -43.44 3.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.121 -0.987 . . . . 0.0 111.685 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.9 m -77.45 -38.26 26.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.59 -1.319 . . . . 0.0 107.953 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -24.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLN . 18.8 m-20 -76.98 -31.77 56.77 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.2 tmmt? -79.23 -53.22 7.17 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -50.1 -42.55 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 108.696 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.503 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 mmt -60.82 -30.64 70.2 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' LYS . 21.6 tt0 -67.34 -27.76 67.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.36 -0.837 . . . . 0.0 108.878 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.9 m -91.44 -32.02 15.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.448 -0.783 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.41 -45.22 6.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.11 -0.994 . . . . 0.0 111.022 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 37.4 t0 -54.92 109.38 0.51 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.209 -1.557 . . . . 0.0 109.245 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -90.67 -36.11 14.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.24 -4.54 58.52 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.05 44.27 88.26 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 13.4 p30 -102.34 -5.01 24.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.792 -0.828 . . . . 0.0 110.306 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.87 6.93 88.58 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.01 152.96 50.83 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.7 m -113.9 98.81 7.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.223 -0.923 . . . . 0.0 110.513 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.75 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' B' ' 78' ' ' SER . 1.3 p90 -76.01 -31.29 58.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 111.058 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.99 -44.6 79.99 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 111.12 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -90.09 -31.73 17.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.479 -1.388 . . . . 0.0 109.455 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 8.8 t80 -54.29 -41.39 68.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.512 -1.368 . . . . 0.0 108.873 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -42.31 87.46 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.44 -21.76 4.02 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.445 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.27 -53.17 11.52 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.79 -33.18 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.46 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.9 t -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.783 0.802 . . . . 0.0 108.958 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.22 -32.25 64.65 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.496 -0.752 . . . . 0.0 109.834 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER -86.7 -32.65 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.492 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.9 m -68.49 -36.51 79.02 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 78' ' ' SER . 11.7 p -63.7 -40.24 96.29 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.438 -0.788 . . . . 0.0 110.256 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.7 74.0 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.661 -1.274 . . . . 0.0 107.898 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 80' ' ' VAL . 14.5 m -70.36 -18.95 63.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' B' ' 25' ' ' HIS . 2.7 t-80 -92.72 -35.18 13.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 90' ' ' HIS . 8.0 pt-20 -74.93 -37.65 61.96 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.337 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.54 -57.18 13.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 109.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.56 -33.67 76.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -92.87 15.27 15.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 1.4 t-80 -68.24 99.96 0.98 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.047 -1.033 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.524 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 66.4 p -130.22 -164.4 1.42 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.369 -0.832 . . . . 0.0 109.804 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -50.64 -27.29 6.63 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.86 -27.31 44.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -74.95 -29.36 60.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.888 -1.133 . . . . 0.0 108.914 179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -69.35 -46.31 67.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -54.11 42.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.428 -0.795 . . . . 0.0 110.482 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.5 mtm -53.1 -37.7 61.94 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -75.71 -41.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.962 -1.086 . . . . 0.0 108.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.14 75.9 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.107 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.7 mp -80.1 -49.01 12.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.725 -1.234 . . . . 0.0 110.93 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.3 mt -46.03 -28.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.765 -1.21 . . . . 0.0 109.733 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.38 -51.59 9.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.112 -0.993 . . . . 0.0 109.457 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t -76.15 -26.95 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.188 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' B' ' 25' ' ' HIS . 3.0 t80 -73.39 -42.91 61.55 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.098 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -78.09 -29.93 49.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.949 -1.094 . . . . 0.0 110.855 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -67.08 -34.24 77.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.034 -1.041 . . . . 0.0 110.305 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.78 -56.72 3.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.03 -1.044 . . . . 0.0 108.817 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 3.3 t -53.28 -21.59 5.71 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 108.418 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.82 -1.96 56.23 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -60.79 -43.66 97.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.817 -1.402 . . . . 0.0 109.194 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 4.9 pt-20 -164.11 173.79 12.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.352 -0.842 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.67 -162.35 25.4 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.44 -82.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.357 -1.084 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -171.33 -9.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.402 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CD2' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t60 -160.18 53.33 0.33 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.677 -1.264 . . . . 0.0 110.771 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.506 ' N ' ' OG ' ' B' ' 18' ' ' SER . 1.6 tppp? -137.02 147.89 46.51 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 1.8 tt -87.0 125.77 34.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.864 -1.147 . . . . 0.0 109.804 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -102.94 146.76 27.83 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' B' ' 31' ' ' GLU . 45.2 mtmt -47.23 -46.82 24.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.357 -1.464 . . . . 0.0 109.15 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -49.35 -13.95 0.09 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.14 -0.975 . . . . 0.0 109.081 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' B' ' 29' ' ' LYS . 88.7 mt-10 -101.9 -36.61 8.58 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -47.76 70.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.852 -1.155 . . . . 0.0 108.948 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -69.69 -37.75 76.73 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.17 -33.67 50.07 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.242 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 31' ' ' GLU . 15.4 tp -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.992 -1.067 . . . . 0.0 108.32 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.421 HD13 HG23 ' B' ' 36' ' ' ILE . 57.0 mt -74.45 -36.99 43.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.428 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.91 -23.73 33.42 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.904 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 1.7 m-20 -97.88 -44.37 6.72 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.139 -0.976 . . . . 0.0 111.762 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' B' ' 41' ' ' SER . 56.6 mm-40 -100.09 -70.33 0.74 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.954 -1.091 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.39 39.33 0.08 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 108.83 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.6 t -86.69 -22.06 26.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.575 -1.328 . . . . 0.0 110.1 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -94.81 -17.58 21.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -109.82 -44.47 3.82 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.309 -0.869 . . . . 0.0 109.355 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.49 133.36 42.97 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 109.088 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.2 135.07 32.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.476 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.5 103.65 0.69 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.93 139.6 19.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 120.89 -1.131 . . . . 0.0 108.934 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -119.09 -10.97 9.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.16 118.79 33.81 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.608 ' NE2' ' H ' ' B' ' 51' ' ' GLU . 1.7 pm0 -57.84 -21.34 42.0 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.526 -0.734 . . . . 0.0 110.252 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.608 ' H ' ' NE2' ' B' ' 50' ' ' GLN . 39.9 tt0 -42.19 -43.36 3.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.078 -1.014 . . . . 0.0 111.748 -178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.61 -37.91 25.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.622 -1.298 . . . . 0.0 107.932 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -23.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' B' ' 50' ' ' GLN . 18.5 m-20 -77.07 -31.68 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 58' ' ' GLU . 1.2 tmmt? -79.29 -53.17 7.21 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -50.18 -42.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.857 -1.152 . . . . 0.0 108.699 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.506 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 mmt -61.1 -30.55 70.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 55' ' ' LYS . 21.9 tt0 -67.46 -27.8 67.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 108.765 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.0 m -91.34 -31.95 15.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.53 -0.731 . . . . 0.0 109.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.48 -45.35 6.46 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.226 -0.921 . . . . 0.0 111.019 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 37.4 t0 -54.91 109.57 0.54 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.246 -1.534 . . . . 0.0 109.112 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -90.77 -36.14 14.45 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.14 -4.62 58.56 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.0 44.34 87.99 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 13.5 p30 -102.47 -4.82 24.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.782 -0.834 . . . . 0.0 110.366 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.82 6.77 88.53 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -131.83 152.88 50.7 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.506 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 52.5 m -113.69 98.69 7.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.375 -0.828 . . . . 0.0 110.627 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.356 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.451 ' O ' ' OG ' ' A' ' 78' ' ' SER . 1.3 p90 -76.0 -31.36 58.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.812 -1.18 . . . . 0.0 110.902 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.84 -44.46 80.98 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 111.172 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -90.39 -31.61 16.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.475 -1.391 . . . . 0.0 109.482 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 8.9 t80 -54.32 -41.86 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.591 -1.318 . . . . 0.0 108.839 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.95 89.52 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.86 -21.64 4.5 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.476 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -73.25 -53.22 11.43 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 21.8 t -53.57 -33.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 108.401 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' B' ' 82' ' ' THR . 1.8 t -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.855 0.836 . . . . 0.0 108.985 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.06 -32.42 65.02 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.544 -0.723 . . . . 0.0 109.936 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.55 -32.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.494 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 45.3 m -68.44 -36.61 79.28 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' B' ' 78' ' ' SER . 11.1 p -63.46 -40.43 97.1 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.357 -0.839 . . . . 0.0 110.213 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.77 74.14 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.715 -1.241 . . . . 0.0 107.931 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 m -70.26 -19.2 63.13 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' NE2' ' A' ' 25' ' ' HIS . 2.6 t-80 -92.5 -35.07 13.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.458 -0.777 . . . . 0.0 109.366 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 90' ' ' HIS . 8.1 pt-20 -74.97 -37.52 61.89 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.927 -1.109 . . . . 0.0 109.439 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.78 -57.04 14.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.428 -0.795 . . . . 0.0 109.166 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.56 -33.92 76.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.525 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -92.72 15.4 14.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.128 -0.983 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' B' ' 86' ' ' GLU . 1.4 t-80 -68.31 99.7 0.96 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.993 -1.067 . . . . 0.0 109.377 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.526 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 1' ' ' SER . 19.4 mmt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 0' ' ' MET . 0.7 OUTLIER 88.69 12.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.448 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.54 -29.31 58.71 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.31 -22.77 61.89 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.61 -27.99 37.16 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -50.36 60.21 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.18 0.514 . . . . 0.0 110.195 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.1 mtt -49.37 -41.51 39.39 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.161 -0.962 . . . . 0.0 109.454 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.73 -42.04 62.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.572 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.2 79.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.219 -0.925 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.3 mp -78.82 -44.88 22.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.819 -1.176 . . . . 0.0 110.123 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -46.3 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.98 -1.075 . . . . 0.0 109.342 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.54 -50.95 69.31 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.7 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.416 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.2 m-85 -71.89 -43.15 65.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.089 -1.007 . . . . 0.0 109.855 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.85 -37.62 55.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.967 . . . . 0.0 110.582 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.8 -38.73 83.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.87 -1.144 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -87.72 -58.94 2.39 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.031 -1.043 . . . . 0.0 110.298 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -57.62 -25.01 59.5 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 108.657 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.25 3.2 58.06 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -64.06 -42.87 96.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.925 -1.338 . . . . 0.0 108.957 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.13 155.32 32.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.473 -0.767 . . . . 0.0 109.27 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.15 16.37 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.14 -80.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.305 -1.115 . . . . 0.0 109.376 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.7 tmtt? -179.06 -7.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.986 -1.071 . . . . 0.0 109.259 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.1 m-70 -152.99 46.84 0.7 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 110.553 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 11.0 ttmm -133.8 146.27 50.53 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 7.2 tt -87.05 126.69 34.92 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 110.235 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mttp -108.39 149.17 29.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' A' ' 31' ' ' GLU . 25.7 mttp -43.53 -48.38 7.44 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.998 -1.064 . . . . 0.0 109.6 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -48.45 -12.09 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 48.3 mt-10 -99.57 -42.82 6.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.261 -0.899 . . . . 0.0 109.378 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -51.67 65.63 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.221 -0.924 . . . . 0.0 108.996 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -66.0 -37.78 86.8 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.218 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -77.93 -33.73 51.6 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.58 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 49.6 tp -74.01 -33.06 63.65 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.306 -0.871 . . . . 0.0 108.825 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 36' ' ' ILE . 33.4 mt -67.07 -37.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 2.5 t-20 -78.45 -22.25 47.9 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.722 -0.612 . . . . 0.0 111.443 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -94.03 -43.42 8.53 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.676 -1.265 . . . . 0.0 113.382 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 41' ' ' SER . 85.7 mt-10 -120.53 -51.12 2.18 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.796 -1.19 . . . . 0.0 110.354 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 21.22 0.44 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.58 -17.65 53.44 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -23.76 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.36 -55.33 2.49 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 131.1 36.9 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.47 150.39 22.73 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.997 -1.064 . . . . 0.0 108.745 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.66 99.32 0.78 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.103 -0.998 . . . . 0.0 108.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.67 140.75 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.135 -0.978 . . . . 0.0 109.487 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -106.57 -15.12 14.86 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -122.41 136.23 54.85 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -70.47 -17.06 62.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.671 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -47.18 -36.3 8.53 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.979 -1.075 . . . . 0.0 111.048 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.76 -37.7 24.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.622 -1.299 . . . . 0.0 107.531 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -65.13 -23.92 34.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 178.502 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -77.83 -35.68 50.98 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -52.97 10.76 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.9 p -54.03 -40.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.769 -1.207 . . . . 0.0 108.012 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.535 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 10.7 mmm -65.49 -31.21 72.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.21 -38.72 92.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.0 109.068 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.3 m -79.1 -30.84 44.05 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.451 -0.78 . . . . 0.0 109.484 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.08 -43.17 10.07 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.182 -0.949 . . . . 0.0 110.844 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' MET . 7.3 m-20 -56.03 108.46 0.46 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.492 -1.38 . . . . 0.0 110.68 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -86.56 -43.15 12.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 31.4 p-10 -79.41 -2.05 40.01 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 43.67 84.7 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 107.767 -2.133 . . . . 0.0 107.767 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 30.6 p-10 -95.78 -5.42 41.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.629 -0.924 . . . . 0.0 109.983 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.6 -1.38 37.26 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 107.942 -2.063 . . . . 0.0 107.942 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 65' ' ' ASP . 42.3 mt-10 -122.72 160.3 26.18 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 57.3 m -126.18 96.61 4.78 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.294 -0.879 . . . . 0.0 110.955 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -52.33 -170.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.4 OUTLIER -77.99 -31.75 50.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.393 -1.442 . . . . 0.0 112.038 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' NE2' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.67 -32.84 60.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.633 -1.292 . . . . 0.0 109.486 -178.394 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 27.3 tt0 -86.54 -40.51 15.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 108.539 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.527 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.1 t80 -54.97 -39.96 69.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.198 -0.939 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 1.1 ttt -62.52 -44.33 96.63 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.65 -22.23 1.95 Allowed 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.587 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.4 -48.69 21.76 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.033 -1.042 . . . . 0.0 108.243 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.4 t -57.61 -38.44 64.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.16 -0.963 . . . . 0.0 109.226 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.51 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -67.75 -31.46 71.38 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.059 -1.026 . . . . 0.0 109.481 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.72 -25.45 62.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.35 -36.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.63 -35.11 70.32 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 179.378 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.7 p -63.55 -39.33 94.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 110.314 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.26 84.67 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.685 -1.259 . . . . 0.0 108.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.1 t -61.4 -15.09 33.3 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.562 -0.855 . . . . 0.0 108.772 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -100.34 -34.96 9.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.494 -0.754 . . . . 0.0 109.251 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.35 -46.59 66.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.648 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.93 -41.73 91.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.237 -0.914 . . . . 0.0 109.155 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -55.56 -20.05 12.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 0.0 109.741 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.29 -16.53 19.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.085 -1.009 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.14 103.48 0.48 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.682 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.616 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.519 ' O ' ' CB ' ' B' ' 1' ' ' SER . 19.6 mmt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 0' ' ' MET . 0.7 OUTLIER 88.74 13.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.9 -29.07 59.44 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.3 -22.94 61.87 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -80.4 -28.14 37.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -44.34 85.0 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.04 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.182 0.515 . . . . 0.0 110.268 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.3 mtt -49.19 -41.58 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 0.0 109.46 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.86 -42.24 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.481 -0.762 . . . . 0.0 109.451 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.2 79.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.902 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.2 mp -78.76 -44.97 22.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.875 -1.141 . . . . 0.0 110.12 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.81 -46.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.107 -0.996 . . . . 0.0 109.379 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.27 -51.15 68.87 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.305 -0.872 . . . . 0.0 109.96 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.0 110.37 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.535 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.2 m-85 -71.8 -43.29 65.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.021 -1.05 . . . . 0.0 109.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.82 -37.49 55.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.1 -1.0 . . . . 0.0 110.5 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -67.74 -38.91 84.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.941 -1.099 . . . . 0.0 110.23 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -87.74 -58.89 2.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.996 -1.065 . . . . 0.0 110.257 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.414 ' HG ' ' N ' ' B' ' 19' ' ' GLY . 11.3 p -57.6 -24.91 58.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.915 -1.116 . . . . 0.0 108.626 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' B' ' 18' ' ' SER . . . -99.4 3.19 57.85 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -63.89 -42.88 97.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.92 -1.341 . . . . 0.0 108.971 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.14 155.63 32.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.403 -0.81 . . . . 0.0 109.277 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.66 -162.52 16.52 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.98 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -1.074 . . . . 0.0 109.482 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.54 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.9 tmtt? -179.12 -7.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.07 -1.019 . . . . 0.0 109.316 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.6 m-70 -153.2 46.88 0.68 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.93 -1.106 . . . . 0.0 110.507 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.465 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 10.8 ttmm -133.74 146.37 50.7 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.535 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 7.2 tt -87.09 126.65 34.9 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.29 -0.882 . . . . 0.0 110.139 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.444 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 28.3 mttp -108.25 149.32 28.76 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 31' ' ' GLU . 26.8 mttp -43.93 -48.2 8.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.864 -1.148 . . . . 0.0 109.641 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -48.49 -12.06 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.359 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 35' ' ' LEU . 47.9 mt-10 -99.55 -42.84 6.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.247 -0.908 . . . . 0.0 109.377 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -51.27 66.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 108.991 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.137 -0.977 . . . . 0.0 109.19 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -77.84 -33.74 52.18 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.528 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 31' ' ' GLU . 49.9 tp -74.04 -32.96 63.55 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.341 -0.849 . . . . 0.0 108.803 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.12 -37.66 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 2.5 t-20 -78.38 -22.2 48.23 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 111.242 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -94.0 -43.68 8.42 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.571 -1.33 . . . . 0.0 113.295 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 41' ' ' SER . 85.3 mt-10 -120.49 -50.98 2.19 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.695 -1.253 . . . . 0.0 110.304 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.01 21.13 0.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -79.56 -17.64 53.51 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -23.94 21.86 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -102.2 -54.99 2.57 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.48 131.1 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.56 150.2 23.56 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.075 -1.016 . . . . 0.0 108.755 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.25 99.2 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.975 -1.078 . . . . 0.0 108.976 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.74 140.66 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -106.5 -15.12 14.88 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -122.35 136.16 54.85 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.46 -17.07 62.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.114 -0.991 . . . . 0.0 109.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -47.35 -36.08 9.02 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.911 -1.118 . . . . 0.0 111.028 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 m -77.84 -37.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -65.04 -23.91 34.38 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.449 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -77.89 -35.63 50.55 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -52.76 11.36 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.6 p -54.16 -40.19 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.881 -1.137 . . . . 0.0 107.932 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.52 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 11.5 mmm -65.53 -31.15 72.06 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.29 -38.45 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.176 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -79.35 -30.53 42.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.38 -0.825 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.25 -43.27 9.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.231 -0.918 . . . . 0.0 110.864 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' B' ' 57' ' ' MET . 7.2 m-20 -56.02 108.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.478 -1.389 . . . . 0.0 110.606 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -86.4 -43.08 13.12 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.1 p-10 -79.38 -2.16 40.42 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.38 43.61 84.88 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 30.9 p-10 -95.8 -5.4 41.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.708 -0.877 . . . . 0.0 110.095 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.37 -1.28 36.1 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' B' ' 65' ' ' ASP . 41.9 mt-10 -122.67 160.06 26.61 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.52 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 56.0 m -126.05 96.49 4.75 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.239 -0.913 . . . . 0.0 111.04 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -52.28 -170.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.407 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.3 OUTLIER -77.95 -31.54 50.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.452 -1.405 . . . . 0.0 112.002 -178.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.481 ' C ' ' NE2' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -75.91 -32.57 59.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.534 -1.354 . . . . 0.0 109.648 -178.453 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.442 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 27.6 tt0 -86.69 -40.56 14.96 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.608 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.535 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.2 t80 -55.02 -40.0 69.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.861 . . . . 0.0 109.223 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.51 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -62.34 -44.51 96.32 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.33 -22.5 1.85 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.585 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -75.41 -48.67 21.77 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.042 -1.036 . . . . 0.0 108.333 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' B' ' 81' ' ' THR . 21.7 t -57.64 -38.31 63.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.245 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.507 ' CB ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -67.97 -31.29 70.91 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.153 -0.967 . . . . 0.0 109.517 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.7 -25.53 62.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.18 -36.43 10.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.78 -34.99 69.89 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.0 p -63.69 -39.32 94.03 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.388 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.34 84.44 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.75 -1.219 . . . . 0.0 108.669 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.28 -15.27 33.51 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.532 -0.867 . . . . 0.0 108.733 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -100.08 -35.0 9.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 109.207 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.45 -46.36 66.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.997 -1.065 . . . . 0.0 109.629 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -41.6 90.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 109.218 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.53 -20.24 12.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.723 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -97.97 -16.79 19.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 109.698 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.02 103.51 0.47 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.036 -1.04 . . . . 0.0 108.725 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.549 -179.79 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.5 p -108.52 -175.07 2.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.331 -0.856 . . . . 0.0 110.102 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -50.93 -29.94 13.48 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.01 -27.12 48.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.131 -0.981 . . . . 0.0 109.836 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 2.2 tm-20 -74.1 -30.72 62.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.594 -1.316 . . . . 0.0 109.021 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -71.09 -47.12 60.01 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.99 -53.64 56.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.55 -0.719 . . . . 0.0 110.115 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.435 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 5.9 mtt -55.48 -38.74 69.52 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.1 -1.0 . . . . 0.0 109.135 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.44 -53.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.028 -1.045 . . . . 0.0 108.657 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.58 -37.73 41.49 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.736 -0.602 . . . . 0.0 110.385 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 14' ' ' PHE . 9.7 mp -79.33 -45.32 19.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.778 -1.201 . . . . 0.0 110.61 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.39 -35.48 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.609 -1.307 . . . . 0.0 109.918 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.85 -50.77 12.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.671 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -73.76 -25.7 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.231 -0.918 . . . . 0.0 109.376 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 t80 -66.69 -45.86 77.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.616 -0.677 . . . . 0.0 110.133 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -40.25 40.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.95 -44.31 40.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.079 -1.013 . . . . 0.0 110.656 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.28 -57.73 2.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 9.2 t -48.77 -28.85 3.94 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.084 -1.01 . . . . 0.0 108.834 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.15 2.98 51.19 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.42 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -63.44 -36.39 83.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.213 -1.757 . . . . 0.0 110.683 -179.089 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 20.8 pt-20 -163.0 166.13 24.1 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.465 -1.397 . . . . 0.0 111.389 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 74.67 -136.59 21.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLY . 17.4 m-20 -54.88 -113.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.841 -0.799 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -171.99 -17.83 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.923 -1.11 . . . . 0.0 110.162 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 14' ' ' PHE . 3.8 t60 -133.79 33.3 3.47 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.769 -1.207 . . . . 0.0 111.366 -178.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 18' ' ' SER . 28.0 mtmt -143.25 150.99 40.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.892 -1.13 . . . . 0.0 108.449 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -95.07 138.15 33.17 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.115 0.96 . . . . 0.0 110.077 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.8 mttm -108.15 156.77 18.93 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 31' ' ' GLU . 54.6 mttm -46.79 -47.44 20.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.988 -1.07 . . . . 0.0 109.674 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.92 -11.23 0.15 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.141 -0.975 . . . . 0.0 109.038 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 29' ' ' LYS . 31.5 mt-10 -100.05 -35.88 9.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.387 -0.821 . . . . 0.0 108.959 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -60.75 2.74 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.1 -34.45 72.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.428 -0.795 . . . . 0.0 109.974 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -82.59 -38.73 23.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 110.437 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.5 tp -72.78 -32.11 65.35 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -72.49 -41.05 64.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.597 -0.69 . . . . 0.0 109.345 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.6 m-20 -82.94 -24.75 32.9 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.263 -0.898 . . . . 0.0 111.1 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.33 -43.68 7.57 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.958 -1.089 . . . . 0.0 111.291 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.8 tp10 -98.99 -66.84 0.88 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.988 -1.07 . . . . 0.0 110.328 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.55 39.3 0.21 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 108.826 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -87.34 -17.04 33.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.912 . . . . 0.0 110.041 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.693 ' HE2' ' HG ' ' B' ' 1' ' ' SER . 1.5 p80 -99.85 -27.91 13.38 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.835 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.658 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 2.0 m-85 -98.76 -62.35 1.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 tp -76.57 137.54 39.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.022 -1.048 . . . . 0.0 108.236 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -49.39 136.72 15.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.018 -1.051 . . . . 0.0 109.877 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.7 103.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.493 -0.754 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.38 128.64 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 108.936 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -114.26 -25.34 8.5 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.712 . . . . 0.0 109.345 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -97.36 157.86 15.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.34 -0.85 . . . . 0.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -95.1 -29.55 14.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.303 -0.873 . . . . 0.0 109.787 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -52.44 -26.81 13.75 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.145 -0.972 . . . . 0.0 110.005 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -76.22 -38.92 34.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -23.71 33.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.07 -35.94 56.23 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLU . 45.4 tttt -73.08 -57.66 3.87 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.24 -44.51 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.39 -38.42 80.49 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' LYS . 6.2 tp10 -64.29 -29.89 70.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 109.512 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.2 m -88.97 -27.75 20.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.4 tp -105.2 -38.19 6.63 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 110.904 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.2 t0 -58.32 101.22 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.446 -1.409 . . . . 0.0 109.707 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.32 -31.01 16.25 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.37 -5.11 59.04 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 43.05 96.64 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.3 p-10 -103.93 -5.7 22.01 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.552 -0.97 . . . . 0.0 110.04 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.22 0.22 35.36 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 65' ' ' ASP . 80.2 mt-10 -127.5 164.86 20.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 69' ' ' ASP . 81.1 m -127.43 97.61 4.95 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.288 -0.883 . . . . 0.0 110.776 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -55.29 -163.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -74.3 -45.0 50.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.23 -1.544 . . . . 0.0 111.278 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -62.75 -29.61 70.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.88 -1.137 . . . . 0.0 110.324 -178.274 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 35.8 tt0 -92.5 -40.78 10.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.65 -1.281 . . . . 0.0 108.83 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -55.26 -42.75 73.94 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.11 -0.994 . . . . 0.0 108.858 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.76 91.8 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.15 -17.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.41 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -75.14 -56.63 4.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.9 -1.125 . . . . 0.0 108.713 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.11 -33.68 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 108.642 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 t -62.72 -36.45 83.02 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.586 0.708 . . . . 0.0 109.449 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttp -72.72 -25.73 61.32 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.21 -38.03 12.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 88.4 m -67.84 -38.14 82.78 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.0 p -65.87 -40.2 91.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.81 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.53 89.54 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.499 -1.375 . . . . 0.0 108.323 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.16 -10.07 37.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.493 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.405 ' HD1' HD11 ' B' ' 11' ' ' ILE . 3.4 t-160 -101.68 -42.57 6.15 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 90' ' ' HIS . 11.6 tp10 -69.55 -38.97 77.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.26 -58.3 9.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.5 -30.78 71.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.002 . . . . 0.0 109.418 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -91.36 7.67 39.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.874 . . . . 0.0 109.47 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 86' ' ' GLU . 20.4 t-160 -67.79 101.56 1.08 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.067 -1.021 . . . . 0.0 108.819 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.503 -179.795 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.693 ' HG ' ' HE2' ' A' ' 42' ' ' HIS . 17.0 p -108.85 -174.86 2.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.365 -0.835 . . . . 0.0 110.158 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -51.16 -29.62 14.31 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -78.55 -27.02 45.79 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.352 -0.843 . . . . 0.0 109.662 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 2.2 tm-20 -74.23 -30.9 62.38 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.703 -1.248 . . . . 0.0 108.955 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.98 -46.9 61.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.502 -0.749 . . . . 0.0 108.994 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.04 62.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 0.0 110.189 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.454 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.7 mtt -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.104 -0.997 . . . . 0.0 109.175 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.32 -53.12 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.155 -0.965 . . . . 0.0 108.644 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.09 -37.52 46.25 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.673 -0.642 . . . . 0.0 110.45 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 14' ' ' PHE . 9.7 mp -79.26 -45.33 19.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.673 -1.267 . . . . 0.0 110.535 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.405 HD11 ' HD1' ' A' ' 85' ' ' HIS . 2.9 mm -44.43 -35.43 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.583 -1.323 . . . . 0.0 109.967 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.72 -50.93 12.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.065 -1.022 . . . . 0.0 109.672 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 43.5 t -73.71 -25.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 109.529 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' CE1' ' B' ' 25' ' ' HIS . 1.9 t80 -66.71 -45.77 77.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.238 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -40.22 40.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.98 -44.34 40.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.168 -0.957 . . . . 0.0 110.691 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.32 -57.62 2.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.113 -0.992 . . . . 0.0 109.455 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 9.3 t -48.84 -28.7 3.92 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.018 -1.051 . . . . 0.0 108.891 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.26 2.83 50.76 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.559 -0.713 . . . . 0.0 111.409 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -63.46 -36.19 82.93 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.165 -1.785 . . . . 0.0 110.67 -178.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' B' ' 20' ' ' ARG . 20.6 pt-20 -163.11 166.18 23.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.523 -1.36 . . . . 0.0 111.267 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 74.57 -136.84 21.67 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLY . 17.2 m-20 -54.79 -113.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.854 -0.792 . . . . 0.0 110.084 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -172.09 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' CE2' ' B' ' 14' ' ' PHE . 3.6 t60 -133.74 33.29 3.49 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.691 -1.256 . . . . 0.0 111.334 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.529 ' N ' ' OG ' ' B' ' 18' ' ' SER . 28.7 mtmt -143.21 150.77 39.81 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.88 -1.137 . . . . 0.0 108.447 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -95.04 137.94 33.42 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.098 0.951 . . . . 0.0 110.049 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 41.7 mttm -108.18 156.65 19.09 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' B' ' 31' ' ' GLU . 55.3 mttm -46.64 -47.64 20.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.979 -1.076 . . . . 0.0 109.691 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -51.82 -11.16 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.182 -0.949 . . . . 0.0 109.025 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' B' ' 35' ' ' LEU . 32.3 mt-10 -99.96 -35.84 9.59 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.46 -0.775 . . . . 0.0 109.054 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -60.97 2.53 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.31 -34.43 72.32 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.382 -0.824 . . . . 0.0 109.947 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -82.52 -38.84 23.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.214 -0.929 . . . . 0.0 110.372 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 31' ' ' GLU . 14.2 tp -72.57 -32.59 66.14 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.93 -41.46 68.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.608 -0.682 . . . . 0.0 109.423 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.461 ' O ' ' OG ' ' B' ' 41' ' ' SER . 15.8 m-20 -82.74 -24.79 33.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.331 -0.856 . . . . 0.0 111.15 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.19 -43.62 7.65 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.964 -1.085 . . . . 0.0 111.427 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.7 tp10 -99.19 -66.88 0.87 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.972 -1.08 . . . . 0.0 110.327 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.27 39.31 0.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.464 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.5 OUTLIER -87.4 -17.37 32.43 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.0 110.014 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.661 ' HD1' ' N ' ' B' ' 43' ' ' PHE . 1.5 p80 -99.43 -28.2 13.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.169 -0.957 . . . . 0.0 109.82 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.661 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.0 m-85 -98.46 -62.4 1.25 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.55 137.45 39.57 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.022 -1.049 . . . . 0.0 108.249 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -49.48 136.96 15.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.065 -1.022 . . . . 0.0 109.744 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.71 103.12 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.76 . . . . 0.0 109.608 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.31 128.78 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 108.883 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -114.51 -25.23 8.44 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.571 -0.706 . . . . 0.0 109.367 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.36 157.9 15.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.301 -0.875 . . . . 0.0 109.212 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.16 -29.46 14.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.197 -0.939 . . . . 0.0 109.747 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -52.53 -26.87 14.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.19 -0.943 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.01 -38.89 36.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.43 -23.91 33.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -35.73 56.94 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' GLU . 45.8 tttt -73.22 -57.86 3.72 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -45.2 -44.51 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.33 -38.53 80.57 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.016 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 55' ' ' LYS . 6.2 tp10 -64.16 -30.11 71.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 46.8 m -88.82 -27.52 21.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.613 -0.679 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.17 -38.46 6.54 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 110.938 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -57.97 101.29 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.445 -1.41 . . . . 0.0 109.622 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.47 -30.98 16.16 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -5.11 59.05 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 42.82 96.58 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.474 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 33.8 p-10 -103.97 -5.73 21.93 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.502 -0.999 . . . . 0.0 109.848 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.31 0.38 36.96 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.018 -2.033 . . . . 0.0 108.018 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' B' ' 65' ' ' ASP . 80.0 mt-10 -127.64 164.96 20.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' ASP . 83.5 m -127.53 97.52 4.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.261 -0.9 . . . . 0.0 110.779 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.2 OUTLIER -55.17 -163.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -74.6 -45.01 47.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.164 -1.585 . . . . 0.0 111.301 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -62.54 -29.67 70.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.101 . . . . 0.0 110.4 -178.402 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 35.5 tt0 -92.5 -40.82 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.707 -1.246 . . . . 0.0 108.768 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -55.23 -42.61 73.61 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.102 -0.999 . . . . 0.0 108.921 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -45.69 92.34 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.04 -17.79 1.17 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.463 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.91 -56.73 4.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.949 -1.095 . . . . 0.0 108.774 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.34 -33.32 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.406 ' O ' ' CG2' ' B' ' 82' ' ' THR . 8.5 t -63.28 -36.13 82.65 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.577 0.703 . . . . 0.0 109.38 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 ttp -72.79 -25.94 61.34 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.95 -38.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.435 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 91.5 m -67.96 -37.89 82.11 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' B' ' 78' ' ' SER . 32.2 p -66.08 -40.14 90.59 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.027 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.34 90.12 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.584 -1.323 . . . . 0.0 108.267 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.2 -10.1 38.4 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -101.71 -42.54 6.15 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 90' ' ' HIS . 11.6 tp10 -69.64 -39.03 77.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.307 -0.871 . . . . 0.0 109.934 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.12 -58.43 8.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.242 -0.911 . . . . 0.0 109.66 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.26 -31.23 72.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.114 -0.991 . . . . 0.0 109.417 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.79 7.29 40.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.329 -0.857 . . . . 0.0 109.541 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' B' ' 86' ' ' GLU . 20.4 t-160 -67.56 101.48 1.01 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.05 . . . . 0.0 108.887 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.444 -179.885 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.687 ' HG ' ' H ' ' A' ' 4' ' ' GLU . 28.4 t -93.43 78.85 4.39 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.264 -0.897 . . . . 0.0 109.974 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 12' ' ' ASP . 31.6 mt-10 -53.2 -29.96 34.98 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -25.02 61.31 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.63 -0.669 . . . . 0.0 110.797 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.687 ' H ' ' HG ' ' A' ' 1' ' ' SER . 76.5 tt0 -65.52 -50.61 64.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.726 -1.234 . . . . 0.0 108.715 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.659 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -52.91 -45.14 67.46 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.65 -56.17 23.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.826 -0.546 . . . . 0.0 111.643 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 ptp -66.41 -28.42 68.61 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.749 -1.219 . . . . 0.0 109.33 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.9 -55.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.133 -0.98 . . . . 0.0 108.778 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.27 -32.69 17.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.617 -0.677 . . . . 0.0 110.112 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' PHE . 3.5 mt -77.28 -42.93 35.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.861 -1.149 . . . . 0.0 110.237 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.24 -35.14 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 109.201 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' B' ' 2' ' ' GLU . 24.8 t70 -71.64 -50.9 26.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.93 -25.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.652 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 10.5 t80 -73.49 -47.76 38.65 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.387 -0.821 . . . . 0.0 109.763 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -30.44 61.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.094 -1.003 . . . . 0.0 109.889 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -67.49 -40.59 85.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.041 -1.037 . . . . 0.0 110.338 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -88.81 -57.69 2.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 108.636 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.511 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 m -53.37 -20.38 4.43 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.8 -3.03 56.18 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -61.19 -43.83 98.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.412 . . . . 0.0 108.477 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -162.97 171.25 16.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.773 . . . . 0.0 109.592 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.16 -167.31 23.75 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.08 -68.03 0.23 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.2 -1.176 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -41.05 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.306 -0.871 . . . . 0.0 109.653 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -133.33 64.8 1.6 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.089 -1.007 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -144.07 149.42 36.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mp -97.59 129.28 44.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.996 -1.065 . . . . 0.0 111.039 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.4 mtmp? -107.9 157.92 17.78 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.8 ttpt -45.53 -47.62 14.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.998 -1.064 . . . . 0.0 109.351 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 m -48.62 -15.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.26 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 35' ' ' LEU . 29.5 mt-10 -99.19 -42.88 6.85 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.211 -0.931 . . . . 0.0 108.847 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -51.23 70.14 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.146 -0.971 . . . . 0.0 109.428 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.89 -36.29 81.96 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.083 -1.011 . . . . 0.0 109.635 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.41 -30.8 42.55 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.064 -1.023 . . . . 0.0 109.761 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' GLU . 27.3 tp -71.7 -34.22 69.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.116 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 pt -78.7 -33.3 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.733 -1.23 . . . . 0.0 109.542 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.02 -22.61 45.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -97.95 -42.8 7.36 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.244 -0.91 . . . . 0.0 111.829 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 41' ' ' SER . 10.0 mm-40 -105.92 -67.63 0.92 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.954 -1.091 . . . . 0.0 110.535 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.0 35.5 0.09 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.16 -0.962 . . . . 0.0 109.499 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.03 -20.84 26.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.119 -0.988 . . . . 0.0 109.899 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.66 -22.37 34.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.11 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.11 -45.12 3.08 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 135.63 33.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -69.37 142.37 53.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.247 -0.908 . . . . 0.0 109.362 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 111.08 6.68 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.89 129.04 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.095 -1.003 . . . . 0.0 110.252 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.62 -8.26 44.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -123.49 133.04 54.08 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -73.98 -13.69 60.91 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.215 -0.928 . . . . 0.0 108.963 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -39.15 -48.99 1.8 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.68 . . . . 0.0 112.178 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.0 m -71.33 -35.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 C-N-CA 118.286 -1.366 . . . . 0.0 107.868 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -66.68 -23.94 32.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.501 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 97.3 m-20 -79.14 -35.83 41.45 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.38 -47.44 19.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -53.45 -43.36 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -50.48 -38.63 45.02 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.83 -29.34 70.66 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 28.0 m -87.58 -28.4 21.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.474 -0.766 . . . . 0.0 109.527 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.37 -49.17 4.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.303 -0.873 . . . . 0.0 110.457 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' MET . 44.7 t0 -55.93 104.2 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.616 -1.302 . . . . 0.0 109.823 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.81 -40.56 11.72 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.4 p30 -80.5 -4.96 55.85 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.49 46.65 75.58 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 108.609 -1.796 . . . . 0.0 108.609 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 15.4 p30 -100.51 -5.32 27.12 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.372 -1.075 . . . . 0.0 110.041 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.52 -3.21 26.26 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.062 -2.015 . . . . 0.0 108.062 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 65' ' ' ASP . 36.3 mt-10 -117.77 170.1 9.06 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -122.65 88.85 3.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.465 -0.772 . . . . 0.0 109.617 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 1.5 m-20 -52.31 -175.56 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.136 -0.978 . . . . 0.0 108.611 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -73.15 -28.69 62.38 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.689 -1.257 . . . . 0.0 111.108 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -69.88 -47.29 63.12 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.31 -0.869 . . . . 0.0 111.853 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.0 -30.07 21.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.536 -1.353 . . . . 0.0 108.531 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.69 -46.77 67.42 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.792 -1.192 . . . . 0.0 108.265 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -43.29 95.07 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -53.26 -19.35 3.1 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.89 -53.63 10.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.78 -1.2 . . . . 0.0 107.905 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -58.28 -32.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 21.9 p -59.25 -38.42 80.03 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.764 . . . . 0.0 109.285 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.8 ttm -72.12 -27.57 62.71 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.34 -39.99 19.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.464 ' HG1' ' CB ' ' B' ' 7' ' ' MET . 91.5 m -66.59 -36.6 83.01 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 p -67.25 -38.96 86.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.93 -1.106 . . . . 0.0 111.271 -178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.92 78.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.459 -1.401 . . . . 0.0 109.019 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.1 t -61.23 -11.07 8.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.289 -0.882 . . . . 0.0 108.707 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -105.95 -35.14 7.39 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -75.21 -45.83 37.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.143 -0.973 . . . . 0.0 109.29 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.18 -27.86 67.62 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 3.1 m-85 -68.03 -45.37 74.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.174 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.45 -102.26 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.15 -0.969 . . . . 0.0 108.596 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.38 98.97 2.33 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 108.69 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.695 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.4 t -93.48 79.06 4.36 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.323 -0.861 . . . . 0.0 109.953 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 32.5 mt-10 -53.42 -29.98 37.97 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -24.96 61.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.647 -0.658 . . . . 0.0 110.796 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -65.65 -50.18 65.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.851 -1.156 . . . . 0.0 108.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.66 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 0.3 OUTLIER -53.32 -44.99 68.84 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.22 22.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.777 -0.577 . . . . 0.0 111.597 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.464 ' CB ' ' HG1' ' A' ' 81' ' ' THR . 19.9 ptp -66.46 -28.29 68.47 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.78 -1.2 . . . . 0.0 109.329 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.89 -55.29 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.017 -1.052 . . . . 0.0 108.811 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.85 16.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.59 -0.694 . . . . 0.0 110.126 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 3.4 mt -77.29 -42.82 35.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.809 -1.182 . . . . 0.0 110.292 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -47.38 -35.05 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.756 -1.215 . . . . 0.0 109.105 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.426 ' OD2' ' OE2' ' A' ' 2' ' ' GLU . 25.0 t70 -71.64 -51.22 24.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.138 -0.976 . . . . 0.0 109.718 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -76.67 -26.04 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 10.8 t80 -73.42 -47.97 37.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.309 -0.869 . . . . 0.0 109.798 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -30.34 61.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -67.62 -40.46 84.66 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.068 -1.02 . . . . 0.0 110.335 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -89.04 -57.38 2.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.996 -1.065 . . . . 0.0 108.635 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 2.6 m -53.52 -20.39 4.88 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.87 -2.99 56.12 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -61.07 -43.82 98.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.843 -1.386 . . . . 0.0 108.538 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -162.91 171.01 17.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.456 -0.778 . . . . 0.0 109.634 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -167.46 23.78 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -46.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.193 -1.181 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.658 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -133.31 64.52 1.61 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.06 -1.025 . . . . 0.0 110.773 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -143.72 149.26 36.9 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.45 129.28 44.67 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 122.299 1.047 . . . . 0.0 111.049 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 29' ' ' LYS . 2.5 mtmp? -107.96 157.78 17.92 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 31' ' ' GLU . 15.5 ttpt -45.23 -47.86 12.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.894 -1.129 . . . . 0.0 109.381 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -48.46 -15.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.244 -0.91 . . . . 0.0 109.227 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 31.5 mt-10 -99.2 -42.7 6.93 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.273 -0.892 . . . . 0.0 108.804 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.02 -51.35 69.6 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.99 -36.26 81.77 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.996 -1.065 . . . . 0.0 109.66 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -79.35 -30.82 42.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.047 -1.033 . . . . 0.0 109.677 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.6 tp -72.01 -33.91 68.43 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.316 -0.865 . . . . 0.0 110.105 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 pt -78.74 -33.36 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.696 -1.252 . . . . 0.0 109.545 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -78.94 -22.45 45.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -98.08 -42.96 7.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.175 -0.953 . . . . 0.0 111.822 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.8 mm-40 -105.89 -67.81 0.91 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.919 -1.113 . . . . 0.0 110.514 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.63 35.44 0.09 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.042 -1.037 . . . . 0.0 109.531 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -87.04 -20.93 26.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.041 -1.037 . . . . 0.0 109.827 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.48 -22.33 35.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.062 -1.024 . . . . 0.0 109.254 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -114.23 -45.11 3.06 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.45 135.42 33.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.07 142.31 54.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.372 -0.83 . . . . 0.0 109.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 110.94 6.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.195 -0.94 . . . . 0.0 108.521 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' B' ' 47' ' ' ILE . 1.5 pt -75.77 128.92 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.97 . . . . 0.0 110.353 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -92.65 -8.15 44.9 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -123.49 132.92 54.06 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -73.91 -13.57 60.92 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 108.938 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -39.06 -48.91 1.71 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.557 -0.714 . . . . 0.0 112.098 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 m -71.54 -35.37 56.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.484 -1.385 . . . . 0.0 107.996 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -66.65 -23.98 32.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.505 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 97.7 m-20 -79.08 -35.98 41.54 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.33 -47.66 19.4 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.7 OUTLIER -53.15 -43.31 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -50.61 -38.47 45.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.659 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -63.0 -29.35 70.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 56' ' ' VAL . 29.8 m -87.57 -28.6 21.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.438 -0.789 . . . . 0.0 109.61 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.23 -48.99 4.63 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.26 -0.9 . . . . 0.0 110.467 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 44.7 t0 -55.9 104.14 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.661 -1.274 . . . . 0.0 109.86 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -90.76 -40.57 11.74 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.3 p30 -80.63 -4.67 55.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.23 46.59 78.31 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 14.9 p30 -100.46 -5.28 27.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.248 -1.148 . . . . 0.0 110.025 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.21 -2.86 25.49 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' B' ' 65' ' ' ASP . 37.1 mt-10 -117.88 169.94 9.22 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' B' ' 69' ' ' ASP . 96.2 m -122.53 89.07 3.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.393 -0.817 . . . . 0.0 109.664 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' B' ' 68' ' ' CYS . 1.4 m-20 -52.44 -175.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.9 . . . . 0.0 108.579 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -73.18 -28.47 62.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.807 -1.183 . . . . 0.0 111.132 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -70.15 -47.17 62.78 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.886 . . . . 0.0 111.833 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -86.98 -30.16 21.47 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.557 -1.34 . . . . 0.0 108.56 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.57 -46.7 66.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 108.17 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -53.38 -19.31 3.3 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -72.81 -53.57 11.16 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.835 -1.166 . . . . 0.0 107.914 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.31 -32.85 45.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.51 ' HG ' ' N ' ' B' ' 79' ' ' MET . 22.1 p -59.44 -38.18 80.05 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.585 0.707 . . . . 0.0 109.249 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.51 ' N ' ' HG ' ' B' ' 78' ' ' SER . 16.9 ttm -71.98 -27.85 63.03 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.27 -39.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 70.9 m -66.84 -36.56 82.63 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -67.28 -39.18 86.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.995 -1.066 . . . . 0.0 111.221 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.03 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.562 -1.336 . . . . 0.0 109.058 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 18.9 t -61.29 -10.79 7.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.772 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.05 -35.03 7.38 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -75.36 -46.0 35.82 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.227 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.01 -27.85 67.76 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.095 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 3.0 m-85 -67.95 -45.57 73.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 109.124 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.3 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.351 -0.939 . . . . 0.0 108.726 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -72.62 99.18 2.49 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.624 -179.678 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' A' ' 1' ' ' SER . 27.1 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 4' ' ' GLU . 1.3 t 83.12 2.28 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.25 -30.25 37.17 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.2 tp -75.82 -24.98 55.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 1' ' ' SER . 17.5 tp10 -70.96 -37.14 72.78 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -40.67 96.02 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.7 -57.38 11.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.802 -0.562 . . . . 0.0 111.012 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -34.45 63.59 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.952 -1.093 . . . . 0.0 108.874 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.66 -56.48 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.973 -1.079 . . . . 0.0 108.621 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.62 59.26 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.43 0.634 . . . . 0.0 109.713 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -75.78 -45.35 36.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.323 -0.86 . . . . 0.0 110.181 -179.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -46.0 -34.97 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.901 -1.124 . . . . 0.0 108.999 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.95 -52.28 15.16 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.857 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.47 -26.71 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.034 . . . . 0.0 109.112 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 10' ' ' LEU . 8.5 t80 -71.31 -52.45 18.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.004 -1.06 . . . . 0.0 109.673 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.51 -32.85 68.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 0.0 110.721 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 3.8 tp-100 -67.24 -43.34 82.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.632 -1.292 . . . . 0.0 110.28 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 45.6 m-85 -86.67 -57.2 3.08 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.762 -1.211 . . . . 0.0 109.023 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 19' ' ' GLY . 10.2 p -56.34 -29.86 61.88 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.236 -0.915 . . . . 0.0 108.948 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' N ' ' HG ' ' A' ' 18' ' ' SER . . . -91.2 1.72 77.51 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.38 -46.64 63.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.919 -1.342 . . . . 0.0 108.812 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.64 170.55 15.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.488 -0.757 . . . . 0.0 109.928 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.76 -170.48 38.28 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.749 -1.341 . . . . 0.0 109.749 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -48.72 -64.04 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -1.146 . . . . 0.0 108.766 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.8 tmtp? -178.19 -4.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.6 m-70 -153.51 50.3 0.69 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.066 -1.021 . . . . 0.0 110.761 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -133.02 145.74 51.11 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.41 125.67 39.2 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.387 -0.82 . . . . 0.0 111.038 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -110.35 157.54 19.4 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -48.8 -44.14 38.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.773 -1.204 . . . . 0.0 109.447 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 m -51.61 -18.31 1.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.97 . . . . 0.0 108.932 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 35' ' ' LEU . 61.2 mt-10 -100.99 -38.57 8.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.625 -0.672 . . . . 0.0 109.345 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -44.56 76.06 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.05 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.94 -36.24 69.85 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 108.543 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 37.2 tt0 -79.97 -32.73 39.83 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.543 -0.723 . . . . 0.0 109.95 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 31' ' ' GLU . 30.4 tp -71.6 -34.75 70.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 HD11 HG22 ' A' ' 36' ' ' ILE . 55.9 mt -70.01 -38.35 75.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -81.21 -23.31 38.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 111.492 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.676 ' N ' HD21 ' A' ' 38' ' ' ASN . 0.7 OUTLIER -91.36 -44.0 9.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.659 -1.276 . . . . 0.0 111.896 -177.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' B' ' 1' ' ' SER . 6.8 mm-40 -106.57 -57.74 2.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -81.09 34.93 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.148 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -20.18 29.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.945 -1.097 . . . . 0.0 109.532 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.72 -22.99 19.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.197 -0.939 . . . . 0.0 109.842 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CD1' ' CD ' ' B' ' 4' ' ' GLU . 41.1 m-85 -106.79 -51.8 2.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.466 -0.771 . . . . 0.0 109.71 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.57 134.38 34.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.048 -1.032 . . . . 0.0 108.803 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.9 pm0 -54.02 135.26 43.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.757 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 100.64 0.52 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.86 . . . . 0.0 109.136 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 pt -67.8 131.93 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.081 -1.012 . . . . 0.0 109.681 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -102.81 -15.06 16.36 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 mp0 -117.4 139.93 50.24 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -75.37 -16.6 60.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.33 -41.13 3.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.095 -1.003 . . . . 0.0 111.309 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.3 m -77.05 -37.94 27.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 120.71 -1.244 . . . . 0.0 107.864 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -62.1 -24.16 33.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -78.94 -35.94 42.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -72.41 -52.65 15.03 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.187 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 57' ' ' MET . 4.9 p -56.2 -41.57 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.006 -1.059 . . . . 0.0 108.442 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 17.3 mmm -63.5 -31.25 72.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.432 -0.792 . . . . 0.0 109.098 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.78 -32.16 73.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.436 -0.79 . . . . 0.0 109.535 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.7 m -88.09 -36.07 17.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.262 -0.899 . . . . 0.0 110.076 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.76 -46.96 13.51 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.083 -1.011 . . . . 0.0 110.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 43.7 t0 -55.75 108.92 0.49 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.406 -1.433 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -90.55 -45.68 8.78 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 16.2 p-10 -75.72 -1.55 25.43 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 44.49 85.59 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.279 -1.929 . . . . 0.0 108.279 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 52.4 p-10 -97.14 -3.57 40.85 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.376 -1.073 . . . . 0.0 109.76 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.73 0.42 68.32 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 107.896 -2.082 . . . . 0.0 107.896 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -126.29 170.69 11.63 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 4.7 m -124.65 97.16 5.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.608 -0.683 . . . . 0.0 111.138 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' CYS . 41.7 t0 -53.82 -172.72 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.437 ' H ' ' CG ' ' A' ' 69' ' ' ASP . 1.5 p90 -78.32 -29.76 47.88 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.542 -1.349 . . . . 0.0 111.74 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.38 -37.59 65.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.749 -1.219 . . . . 0.0 111.131 -177.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 3.8 pt-20 -91.71 -34.39 14.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.509 -1.369 . . . . 0.0 108.909 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -52.56 -46.57 66.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.63 -1.294 . . . . 0.0 108.155 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -51.43 -21.89 2.65 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.605 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.34 -50.37 27.27 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.657 -1.277 . . . . 0.0 108.131 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' O ' ' OG1' ' A' ' 81' ' ' THR . 25.3 t -54.31 -36.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 82' ' ' THR . 90.0 p -71.92 -28.36 63.43 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.572 -0.705 . . . . 0.0 109.55 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 ttt -73.35 -33.29 65.02 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.56 -30.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 45.9 m -69.28 -38.43 78.35 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 78' ' ' SER . 7.1 p -61.13 -39.1 88.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.368 -0.832 . . . . 0.0 109.92 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.63 84.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.746 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.89 -21.72 59.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.405 -0.81 . . . . 0.0 109.505 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -89.59 -37.95 14.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.309 -0.869 . . . . 0.0 109.332 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -74.42 -35.53 63.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.142 -0.974 . . . . 0.0 109.375 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 81.1 t80 -60.42 -50.14 74.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 109.421 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -70.91 -34.64 71.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -97.83 35.18 1.74 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.125 -0.984 . . . . 0.0 109.589 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.495 ' ND1' ' O ' ' A' ' 87' ' ' PHE . 31.0 p-80 -69.1 100.47 1.26 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.17 -0.956 . . . . 0.0 108.965 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.601 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' B' ' 1' ' ' SER . 27.0 ttt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.508 ' O ' ' N ' ' B' ' 4' ' ' GLU . 1.3 t 83.26 2.15 1.03 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -53.13 -30.36 36.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 20.7 tp -75.73 -25.11 56.31 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 1' ' ' SER . 17.7 tp10 -70.93 -37.09 72.88 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -56.81 13.76 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.741 -0.6 . . . . 0.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -34.09 63.43 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.893 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.83 -56.19 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.124 -0.985 . . . . 0.0 108.574 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -30.39 60.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.703 -0.623 . . . . 0.0 109.671 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -75.9 -45.2 36.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.331 -0.856 . . . . 0.0 110.208 -179.529 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.09 -34.9 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.978 -1.076 . . . . 0.0 108.983 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.1 -52.11 15.51 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.45 -26.82 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.076 -1.015 . . . . 0.0 109.24 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.4 t80 -71.59 -52.08 19.96 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.064 -1.055 . . . . 0.0 109.769 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.66 -32.75 68.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' B' ' 16' ' ' GLN . 3.8 tp-100 -67.39 -43.27 81.77 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.525 -1.36 . . . . 0.0 110.273 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 45.6 m-85 -86.77 -57.27 3.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.758 -1.214 . . . . 0.0 109.069 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -56.12 -30.1 61.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.087 -1.008 . . . . 0.0 108.927 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.89 1.41 78.01 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -70.2 -46.54 64.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.379 . . . . 0.0 108.815 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.89 170.59 15.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.48 -0.763 . . . . 0.0 109.955 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.7 -170.46 38.37 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.56 -64.04 0.91 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -1.203 . . . . 0.0 108.782 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.546 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.7 tmtp? -178.23 -4.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.5 m-70 -153.43 50.46 0.7 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 110.643 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -132.97 145.79 51.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.57 125.49 39.25 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.3 -0.875 . . . . 0.0 111.015 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -110.24 157.41 19.48 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' B' ' 31' ' ' GLU . 43.7 mtmt -48.69 -44.06 37.65 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.91 -1.119 . . . . 0.0 109.541 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 32.9 m -51.75 -18.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.14 -0.975 . . . . 0.0 108.921 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' LEU . 60.9 mt-10 -100.96 -38.48 8.19 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -44.53 75.73 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.137 -0.977 . . . . 0.0 109.107 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.96 -36.32 69.82 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.173 -0.954 . . . . 0.0 108.579 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 37.2 tt0 -79.96 -32.98 39.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.583 -0.698 . . . . 0.0 109.876 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 31' ' ' GLU . 28.3 tp -71.22 -34.98 71.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.082 -1.012 . . . . 0.0 108.553 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.414 HD13 HG21 ' B' ' 36' ' ' ILE . 54.7 mt -69.97 -38.18 74.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -81.15 -23.52 38.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 111.509 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.674 HD21 ' N ' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -91.21 -44.0 9.5 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.603 -1.311 . . . . 0.0 111.948 -177.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 1' ' ' SER . 6.8 mm-40 -106.72 -57.89 2.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.032 -1.042 . . . . 0.0 110.174 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.53 34.74 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.393 -0.817 . . . . 0.0 109.071 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.71 -20.02 29.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 109.489 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.82 -23.03 18.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.243 -0.911 . . . . 0.0 109.822 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 4' ' ' GLU . 41.1 m-85 -106.77 -51.27 2.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.344 -0.848 . . . . 0.0 109.722 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.32 134.18 34.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.971 -1.081 . . . . 0.0 108.779 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.552 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 1.9 pm0 -53.63 135.34 40.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.0 109.85 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.54 100.9 0.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.35 -0.844 . . . . 0.0 109.145 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 pt -68.01 131.75 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.076 -1.015 . . . . 0.0 109.576 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -102.79 -15.01 16.38 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' B' ' 49' ' ' GLU . 7.2 mp0 -117.47 139.97 50.22 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -75.64 -16.49 60.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -43.45 -40.85 4.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 0.0 111.337 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.07 -38.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 120.639 -1.288 . . . . 0.0 107.818 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -62.08 -24.21 33.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 106.87 -1.529 . . . . 0.0 106.87 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -78.63 -36.18 44.42 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -72.1 -52.62 15.91 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' B' ' 57' ' ' MET . 4.7 p -56.54 -41.13 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.954 -1.091 . . . . 0.0 108.432 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.553 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 17.5 mmm -63.77 -31.09 72.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.387 -0.821 . . . . 0.0 109.088 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.82 -32.37 74.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.851 . . . . 0.0 109.587 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.1 m -87.88 -36.16 17.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.345 -0.847 . . . . 0.0 110.088 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.78 -46.98 13.45 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.105 -0.997 . . . . 0.0 110.472 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 43.4 t0 -55.66 108.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.346 -1.471 . . . . 0.0 109.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -90.52 -45.81 8.72 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 16.7 p-10 -75.58 -1.47 24.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 44.47 84.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 52.7 p-10 -97.1 -3.65 40.84 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.392 -1.063 . . . . 0.0 109.7 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.29 68.95 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 107.995 -2.042 . . . . 0.0 107.995 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -126.38 170.96 11.4 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.553 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 4.4 m -124.9 96.96 5.07 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.648 -0.657 . . . . 0.0 111.252 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 68' ' ' CYS . 41.7 t0 -53.67 -172.75 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.427 ' H ' ' CG ' ' B' ' 69' ' ' ASP . 1.5 p90 -78.13 -29.97 49.1 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.486 -1.384 . . . . 0.0 111.692 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -73.11 -37.86 66.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.807 -1.183 . . . . 0.0 111.204 -177.593 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 3.7 pt-20 -91.61 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.516 -1.365 . . . . 0.0 109.001 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' B' ' 69' ' ' ASP . 10.2 t80 -52.43 -46.61 66.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.588 -1.32 . . . . 0.0 108.165 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -44.09 91.7 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.444 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -51.49 -21.82 2.7 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.55 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.27 -50.28 28.37 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.586 -1.322 . . . . 0.0 108.063 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.447 ' O ' ' OG1' ' B' ' 81' ' ' THR . 26.0 t -54.38 -36.57 34.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.456 ' O ' ' CG2' ' B' ' 82' ' ' THR . 97.8 p -71.91 -28.32 63.42 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.56 0.695 . . . . 0.0 109.666 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.15 -33.51 65.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 109.81 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.4 -31.08 5.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 54.8 m -69.2 -38.27 78.52 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' B' ' 78' ' ' SER . 6.9 p -61.17 -39.54 90.53 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.368 -0.833 . . . . 0.0 109.902 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.71 84.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.017 -1.052 . . . . 0.0 108.807 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.91 -21.82 59.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -89.42 -37.94 14.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.171 -0.956 . . . . 0.0 109.341 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -74.4 -35.48 63.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.118 -0.989 . . . . 0.0 109.397 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.49 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 81.6 t80 -60.67 -50.12 74.78 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.365 -0.834 . . . . 0.0 109.375 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -70.87 -34.58 71.77 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.383 -0.823 . . . . 0.0 109.919 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -97.74 34.94 1.76 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.136 -0.978 . . . . 0.0 109.609 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.5 ' HD1' ' H ' ' B' ' 90' ' ' HIS . 30.0 p-80 -69.0 100.48 1.22 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 109.092 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.589 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 1' ' ' SER . 27.9 ttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.334 0.588 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 0' ' ' MET . 0.4 OUTLIER 74.37 -151.92 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.218 -0.926 . . . . 0.0 110.634 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -46.82 -23.85 0.49 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.715 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 2.6 mm? -81.19 -25.72 36.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.095 -1.003 . . . . 0.0 109.422 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 24.3 tt0 -76.37 -22.67 54.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.923 -1.111 . . . . 0.0 108.32 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.39 -52.05 9.79 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -54.28 35.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 0.0 110.346 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.501 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 6.1 mtt -55.27 -37.57 67.46 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.096 -1.002 . . . . 0.0 109.776 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 72.1 t -77.5 -46.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.986 -1.071 . . . . 0.0 109.158 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -32.76 71.45 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.396 -0.815 . . . . 0.0 109.454 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.66 -48.1 14.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.009 -1.057 . . . . 0.0 110.785 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mt -45.61 -30.9 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.973 -1.08 . . . . 0.0 109.426 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -75.21 -47.63 27.32 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.214 -0.929 . . . . 0.0 108.799 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.48 -26.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.121 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -71.92 -51.69 20.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.872 . . . . 0.0 110.001 -179.314 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 2.3 t-160 -74.75 -26.37 59.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.903 -1.123 . . . . 0.0 110.689 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -67.62 -40.79 84.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.809 -1.182 . . . . 0.0 110.222 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -91.69 -58.37 2.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.875 -1.141 . . . . 0.0 109.382 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.118 -0.989 . . . . 0.0 108.45 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.45 -1.96 53.57 Favored Glycine 0 N--CA 1.497 2.712 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' NH1' ' CD ' ' A' ' 21' ' ' GLU . 66.7 ttt-85 -55.35 -38.72 69.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.873 -1.369 . . . . 0.0 109.495 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 17.6 pt-20 -166.82 172.65 10.2 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.447 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 69.55 -147.93 46.16 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 5.6 m-20 -47.17 171.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.63 -0.924 . . . . 0.0 109.492 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.01 -5.08 42.09 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' C ' ' HG ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -170.47 67.92 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.173 -1.579 . . . . 0.0 112.313 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 18' ' ' SER . 37.7 mtpt -141.7 148.21 38.71 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.537 -1.352 . . . . 0.0 107.506 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' A' ' 73' ' ' PHE . 3.6 mp -95.19 134.09 38.32 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 122.215 1.007 . . . . 0.0 111.24 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 45.5 mttp -112.01 156.44 22.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' CB ' ' HZ3' ' A' ' 29' ' ' LYS . 8.7 mtmp? -48.1 -38.57 17.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.731 -1.231 . . . . 0.0 108.607 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.7 m -54.29 -18.16 3.71 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 53.9 mt-10 -100.54 -42.6 6.5 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -49.83 69.84 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.138 -0.977 . . . . 0.0 108.926 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -66.77 -38.91 87.5 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.916 -1.115 . . . . 0.0 109.147 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.98 -31.3 56.42 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.215 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' GLU . 20.3 tp -76.33 -28.66 56.97 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 108.945 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.8 mt -76.03 -41.9 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -80.11 -23.41 41.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.61 -43.84 8.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.141 -0.974 . . . . 0.0 111.622 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.4 mm-40 -107.76 -65.57 1.1 Allowed 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.017 -1.052 . . . . 0.0 110.966 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.57 28.61 0.06 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 109.397 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -79.57 -17.66 53.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.978 -1.076 . . . . 0.0 110.702 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.94 -25.25 16.62 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.851 -1.156 . . . . 0.0 110.299 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -108.98 -28.36 9.15 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.254 -0.904 . . . . 0.0 109.168 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -113.04 127.26 56.17 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 4.7 pm0 -49.49 132.11 20.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.404 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.07 100.79 0.79 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 0.0 108.848 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 47' ' ' ILE . 32.7 pt -63.39 138.94 22.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 109.845 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -106.7 -17.68 14.16 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -115.96 136.44 53.03 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.4 -18.55 60.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.151 -0.968 . . . . 0.0 109.711 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -45.04 -38.62 5.04 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 111.183 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.28 -38.36 26.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 120.701 -1.249 . . . . 0.0 107.671 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -61.75 -25.03 35.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 178.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.35 -29.99 42.47 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.661 ' HZ1' ' N ' ' A' ' 56' ' ' VAL . 1.4 ttpm? -77.75 -55.78 5.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.661 ' N ' ' HZ1' ' A' ' 55' ' ' LYS . 2.5 p -51.84 -42.82 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.439 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 10.1 mtp -61.75 -31.66 71.86 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 23.4 tt0 -67.11 -27.6 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.5 m -87.45 -28.12 22.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.606 -0.684 . . . . 0.0 109.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.24 -41.81 7.31 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.32 -0.863 . . . . 0.0 110.74 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' MET . 6.2 m-20 -55.47 108.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.475 -1.391 . . . . 0.0 110.03 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -90.03 -42.53 11.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.9 p-10 -79.09 -2.81 42.32 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.66 45.69 93.02 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -94.41 -5.19 46.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 109.546 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.99 4.1 58.01 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.371 -1.891 . . . . 0.0 108.371 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -125.69 175.0 7.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 69' ' ' ASP . 90.3 m -127.16 90.62 3.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' CYS . 6.8 m-20 -53.4 -169.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.82 -55.84 5.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.314 -1.491 . . . . 0.0 111.145 -178.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.34 -29.52 48.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -88.79 -42.43 11.91 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.964 -1.085 . . . . 0.0 108.677 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 2.2 t80 -59.22 -37.84 78.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.24 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.05 86.73 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.0 -18.55 1.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -74.92 -55.48 5.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.86 -1.15 . . . . 0.0 109.029 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.67 -30.95 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.826 -1.171 . . . . 0.0 108.002 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' CG2' ' A' ' 82' ' ' THR . 9.0 t -67.19 -34.79 78.26 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.35 -0.844 . . . . 0.0 109.277 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.02 -28.91 60.68 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.458 -0.776 . . . . 0.0 109.511 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -31.56 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.514 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.5 m -73.79 -35.74 64.96 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 78' ' ' SER . 21.0 p -68.14 -37.26 80.88 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.163 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.92 74.78 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.777 -1.202 . . . . 0.0 108.509 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.27 -22.23 51.76 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 89' ' ' GLU . 10.6 t60 -92.76 -35.46 13.43 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . 10.1 tp10 -66.13 -50.64 63.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 0.0 109.312 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.48 -34.66 75.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 108.836 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' A' ' 90' ' ' HIS . 17.7 t80 -69.37 -61.32 1.84 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.561 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 85' ' ' HIS . 9.1 pt-20 -75.86 22.9 0.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.03 . . . . 0.0 109.772 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 88' ' ' PHE . 22.6 t-160 -68.19 101.66 1.21 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 108.838 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.462 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' B' ' 1' ' ' SER . 28.2 ttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.309 0.576 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' B' ' 0' ' ' MET . 0.4 OUTLIER 74.17 -151.86 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 110.634 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -46.84 -23.87 0.5 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.734 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' B' ' 3' ' ' LEU . 2.6 mm? -81.16 -25.88 36.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.093 -1.004 . . . . 0.0 109.34 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 1' ' ' SER . 24.5 tt0 -76.19 -22.86 54.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 108.302 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -77.27 -51.96 10.01 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.54 31.48 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 110.364 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.514 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 6.0 mtt -54.92 -37.57 66.56 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.157 -0.964 . . . . 0.0 109.771 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.58 -46.06 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.942 -1.099 . . . . 0.0 109.085 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.87 71.42 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.519 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -79.65 -47.98 14.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.956 -178.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -45.82 -30.8 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.97 -1.081 . . . . 0.0 109.332 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.09 -47.65 27.7 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 108.856 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.66 -26.44 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.35 -0.844 . . . . 0.0 109.068 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -71.74 -51.92 20.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.261 -0.899 . . . . 0.0 110.019 -179.402 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 2.3 t-160 -74.53 -26.19 59.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.848 -1.158 . . . . 0.0 110.74 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.86 -40.69 83.6 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.764 -1.21 . . . . 0.0 110.165 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.904 -1.122 . . . . 0.0 109.373 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.622 ' HG ' ' N ' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -52.58 -22.85 5.43 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.366 179.376 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.41 -1.87 53.66 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CD ' ' B' ' 21' ' ' GLU . 66.8 ttt-85 -55.41 -38.76 69.34 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.862 -1.375 . . . . 0.0 109.514 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 17.2 pt-20 -166.71 172.76 10.24 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.461 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 69.44 -147.93 46.33 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 5.6 m-20 -47.04 171.84 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.582 -0.952 . . . . 0.0 109.549 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -74.97 -5.15 42.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.618 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' C ' ' OG ' ' B' ' 18' ' ' SER . 1.0 OUTLIER -170.54 67.89 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.179 -1.575 . . . . 0.0 112.269 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.622 ' N ' ' HG ' ' B' ' 18' ' ' SER . 37.7 mtpt -141.65 148.39 39.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.548 -1.345 . . . . 0.0 107.616 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -95.25 134.13 38.36 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 122.281 1.038 . . . . 0.0 111.239 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 45.9 mttp -112.05 156.37 22.32 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 8.6 mtmp? -47.87 -38.86 17.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.642 -1.286 . . . . 0.0 108.61 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -18.13 3.72 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' B' ' 35' ' ' LEU . 53.4 mt-10 -100.63 -42.42 6.54 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.73 -50.02 68.54 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.389 -0.924 . . . . 0.0 108.838 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.43 -38.98 88.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.844 -1.16 . . . . 0.0 109.133 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.91 -31.42 56.67 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.312 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 31' ' ' GLU . 19.7 tp -76.32 -28.78 57.05 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.203 -0.935 . . . . 0.0 108.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.43 HD12 HG21 ' B' ' 36' ' ' ILE . 57.0 mt -75.99 -41.65 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.433 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -80.22 -23.38 40.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 110.198 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -92.53 -44.02 8.85 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.096 -1.002 . . . . 0.0 111.633 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.3 mm-40 -107.52 -65.61 1.09 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.47 28.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.443 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.547 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.1 p -79.57 -17.6 53.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 110.697 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.89 -25.1 16.71 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.903 -1.123 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -109.0 -28.54 9.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.245 -0.909 . . . . 0.0 109.193 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.85 127.29 56.14 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 4.7 pm0 -49.52 132.05 21.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.357 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.08 100.84 0.8 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 108.798 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 pt -63.35 138.87 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.959 -1.088 . . . . 0.0 109.767 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.7 -17.77 14.14 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.8 136.42 53.07 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.44 -18.4 60.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.23 -0.919 . . . . 0.0 109.683 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -45.05 -38.61 5.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.025 -1.047 . . . . 0.0 111.303 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.18 -38.59 27.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.436 ' O ' ' SD ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -61.75 -24.92 35.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -79.51 -29.81 41.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.678 ' HZ3' ' N ' ' B' ' 56' ' ' VAL . 1.4 ttpm? -77.83 -55.83 5.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.678 ' N ' ' HZ3' ' B' ' 55' ' ' LYS . 2.5 p -51.78 -42.74 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.503 ' O ' ' N ' ' B' ' 61' ' ' ASP . 10.1 mtp -61.8 -31.63 71.86 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 55' ' ' LYS . 23.3 tt0 -67.11 -27.86 67.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -87.13 -28.18 22.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.28 -41.89 7.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.36 -0.838 . . . . 0.0 110.745 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 57' ' ' MET . 6.2 m-20 -55.47 108.86 0.47 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.505 -1.372 . . . . 0.0 109.989 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -89.96 -42.82 10.96 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 21.1 p-10 -78.87 -2.52 40.17 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.33 45.87 92.37 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -94.46 -5.28 46.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.447 -1.031 . . . . 0.0 109.552 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.03 4.21 58.5 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -125.84 174.97 7.98 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' B' ' 69' ' ' ASP . 89.1 m -127.19 90.58 3.16 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.246 -0.909 . . . . 0.0 110.513 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 68' ' ' CYS . 7.0 m-20 -53.33 -169.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.92 -55.81 5.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.418 -1.426 . . . . 0.0 111.179 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.26 -29.43 46.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.895 -1.128 . . . . 0.0 110.363 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -88.88 -42.4 11.87 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 108.691 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 2.2 t80 -59.29 -37.81 78.62 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.282 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.1 86.54 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.95 -18.6 1.41 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.581 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -74.84 -55.41 5.84 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.845 -1.159 . . . . 0.0 109.089 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.424 ' O ' ' OG1' ' B' ' 81' ' ' THR . 55.1 t -54.69 -30.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.469 ' O ' ' CG2' ' B' ' 82' ' ' THR . 9.5 t -67.28 -34.83 78.24 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.268 -0.895 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -74.87 -29.16 60.93 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.427 -0.796 . . . . 0.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -87.19 -31.78 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.501 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 43.8 m -73.78 -35.48 64.95 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' B' ' 78' ' ' SER . 20.6 p -68.39 -37.21 80.17 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.183 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.15 74.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.628 -1.295 . . . . 0.0 108.473 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 -22.17 49.4 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.476 ' CD2' ' OE2' ' B' ' 89' ' ' GLU . 11.0 t60 -92.8 -35.54 13.35 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.1 tp10 -66.02 -50.52 63.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 0.0 109.423 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -61.58 -34.51 75.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.333 -0.855 . . . . 0.0 108.84 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.469 ' C ' ' H ' ' B' ' 90' ' ' HIS . 17.7 t80 -69.53 -61.15 1.9 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' B' ' 85' ' ' HIS . 9.2 pt-20 -75.94 22.84 0.14 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.047 -1.033 . . . . 0.0 109.812 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.469 ' H ' ' C ' ' B' ' 88' ' ' PHE . 22.7 t-160 -68.09 101.68 1.19 Allowed 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 0.0 108.889 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.513 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 p -108.26 -176.0 2.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.423 -0.798 . . . . 0.0 110.166 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -48.94 -31.01 6.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.776 -0.578 . . . . 0.0 109.498 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.71 -23.05 56.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 0.0 109.319 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.65 -28.26 33.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.977 -1.077 . . . . 0.0 108.758 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.33 -44.72 67.62 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.34 -46.79 84.99 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.415 -0.803 . . . . 0.0 109.362 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.0 mtt -53.83 -43.02 69.1 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 109.026 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.26 -51.91 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.356 -0.84 . . . . 0.0 109.881 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -31.3 64.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.406 -0.808 . . . . 0.0 110.26 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 14' ' ' PHE . 2.5 mt -79.18 -45.79 19.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.818 -1.176 . . . . 0.0 110.789 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -46.98 -33.85 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.901 -1.125 . . . . 0.0 109.66 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.34 -51.96 13.61 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.072 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.39 -25.46 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 0.0 109.328 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.9 t80 -69.61 -45.26 68.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.218 -0.926 . . . . 0.0 110.234 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.87 51.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.974 -1.079 . . . . 0.0 111.087 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.77 -42.32 81.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.856 -1.152 . . . . 0.0 111.099 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' GLY . 43.6 m-85 -84.51 -59.46 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.596 -1.315 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -52.22 -20.39 2.6 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.783 -1.198 . . . . 0.0 107.963 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' TYR . . . -99.54 4.78 58.31 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -74.61 -49.09 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.734 -1.451 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 6.0 tt0 -135.02 162.98 30.92 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.227 -0.921 . . . . 0.0 110.025 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.598 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 84.0 -172.96 50.19 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.94 34.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -1.148 . . . . 0.0 108.376 178.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.598 ' H ' ' C ' ' A' ' 22' ' ' GLY . 21.0 pttm 45.59 171.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.905 0.859 . . . . 0.0 111.703 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 64.61 0.26 1.09 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.611 -0.681 . . . . 0.0 109.434 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 21.4 mmtt -125.42 142.83 51.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.36 120.8 31.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.354 -0.841 . . . . 0.0 109.669 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 148.02 26.83 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 31' ' ' GLU . 33.9 mtmm -46.19 -47.38 17.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.526 -1.359 . . . . 0.0 109.738 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -51.99 -12.39 0.22 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mt-10 -102.86 -37.97 7.61 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -61.58 2.22 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -58.72 -39.0 79.57 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.973 -1.079 . . . . 0.0 109.626 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -76.43 -30.63 57.47 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.206 -0.934 . . . . 0.0 110.453 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLU . 56.4 tp -74.66 -33.11 62.43 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.064 -1.023 . . . . 0.0 108.245 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mm -69.53 -43.73 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.639 -0.663 . . . . 0.0 109.739 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.4 t-20 -84.57 -25.38 28.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.326 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.47 -46.99 9.11 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.553 -1.342 . . . . 0.0 111.982 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.0 tt0 -104.19 -57.49 2.02 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.874 -1.141 . . . . 0.0 110.601 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.18 32.75 0.12 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.108 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.39 -16.66 36.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.016 -1.052 . . . . 0.0 110.366 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.13 -20.48 15.97 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.947 -1.096 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.56 -47.4 3.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.495 -0.753 . . . . 0.0 109.457 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.56 139.23 35.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -47.33 128.9 12.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.3 -0.875 . . . . 0.0 109.602 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 1.5 mp0 -58.54 100.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.191 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.7 mt -65.58 124.55 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -0.965 . . . . 0.0 108.501 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -112.84 -21.82 10.98 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.24 150.55 20.79 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.13 -27.81 16.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.115 -0.99 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -51.53 -29.8 18.12 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 0.0 110.325 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.1 -37.07 39.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.756 -1.215 . . . . 0.0 108.017 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -23.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.55 -34.05 60.69 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.15 -49.35 14.01 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -40.46 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 3.0 mmt -64.09 -27.69 69.27 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -65.86 -37.07 85.21 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.3 m -83.93 -28.59 27.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.469 -0.77 . . . . 0.0 109.311 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.5 mm? -95.05 -47.25 6.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.253 -0.904 . . . . 0.0 110.929 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.2 t0 -57.26 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.964 -1.71 . . . . 0.0 109.569 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 60' ' ' LEU . 14.3 tp10 -91.27 -29.95 16.89 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.5 p-10 -82.73 -5.05 58.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.0 45.59 96.3 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.2 p-10 -103.47 -6.17 22.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.502 -0.999 . . . . 0.0 109.265 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 69.92 -5.21 6.49 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.416 -1.873 . . . . 0.0 108.416 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 65' ' ' ASP . 47.7 mt-10 -122.35 170.61 9.76 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.508 ' O ' ' O ' ' A' ' 69' ' ' ASP . 54.9 m -127.33 94.57 4.03 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.35 -173.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.95 -30.31 67.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.412 -1.43 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -77.5 -28.99 52.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.078 . . . . 0.0 110.538 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 28.3 tt0 -91.41 -41.61 10.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.617 -1.302 . . . . 0.0 109.948 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.48 -39.23 83.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.852 -1.155 . . . . 0.0 108.382 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.8 ttt -76.0 -16.18 60.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.17 -0.956 . . . . 0.0 108.455 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 78' ' ' SER . . . -72.04 -24.13 61.49 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 176.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.45 -41.9 60.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.458 -0.776 . . . . 0.0 109.42 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.71 -39.88 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 118.463 -1.295 . . . . 0.0 107.563 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 75' ' ' ALA . 21.5 p -63.58 -37.68 88.24 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -68.57 -25.74 65.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -83.44 -37.91 13.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.2 m -64.83 -40.8 95.76 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.8 p -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.169 -0.957 . . . . 0.0 110.632 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.8 -28.89 52.59 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.839 -1.163 . . . . 0.0 108.171 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 m -80.8 -10.73 59.7 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.45 -41.95 5.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.606 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -79.51 -30.91 42.1 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.777 -1.202 . . . . 0.0 110.243 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.21 -47.99 69.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.096 -1.002 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -70.18 -37.21 75.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.15 -0.969 . . . . 0.0 109.451 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -89.86 33.46 0.86 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.16 -0.963 . . . . 0.0 109.459 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -70.45 100.01 1.7 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.7 ptt? . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p -107.96 -176.1 2.96 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.381 -0.824 . . . . 0.0 110.155 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -48.96 -31.05 6.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.56 -23.08 56.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.0 109.299 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.69 -28.29 33.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.92 -1.112 . . . . 0.0 108.781 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.35 -44.69 67.62 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.52 85.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.6 mtt -54.03 -42.76 69.52 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.088 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.47 -51.91 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.405 -0.809 . . . . 0.0 109.834 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.39 63.84 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.416 -0.802 . . . . 0.0 110.223 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 14' ' ' PHE . 2.4 mt -79.19 -45.89 18.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.805 -1.185 . . . . 0.0 110.781 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -46.88 -33.91 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.975 -1.078 . . . . 0.0 109.618 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -74.33 -51.99 13.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.174 -0.954 . . . . 0.0 109.969 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.31 -25.62 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 109.209 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.9 t80 -69.53 -45.37 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.235 -0.915 . . . . 0.0 110.224 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.82 51.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.974 -1.079 . . . . 0.0 111.047 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.91 -42.19 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.927 -1.108 . . . . 0.0 111.118 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.599 ' HH ' HD21 ' B' ' 38' ' ' ASN . 43.3 m-85 -84.5 -59.39 2.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.546 -1.346 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -52.31 -20.38 2.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.778 -1.201 . . . . 0.0 107.924 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 5.03 58.29 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -74.76 -49.14 22.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.686 -1.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.404 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 6.0 tt0 -134.9 162.97 30.91 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.13 -0.981 . . . . 0.0 109.995 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.598 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 83.97 -172.99 50.26 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -74.86 34.33 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -1.099 . . . . 0.0 108.37 179.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.598 ' H ' ' C ' ' B' ' 22' ' ' GLY . 21.0 pttm 45.65 171.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.886 0.851 . . . . 0.0 111.755 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 64.55 0.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.659 -0.65 . . . . 0.0 109.382 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.531 ' HZ3' ' CG ' ' B' ' 69' ' ' ASP . 21.0 mmtt -125.4 142.85 51.27 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -89.27 120.73 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 109.704 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 148.15 26.67 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' B' ' 31' ' ' GLU . 33.8 mtmm -46.11 -47.41 17.32 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.509 -1.37 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.7 m -51.99 -12.41 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.218 -0.926 . . . . 0.0 110.079 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 35' ' ' LEU . 15.3 mt-10 -102.81 -38.06 7.59 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -61.74 2.12 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -58.54 -39.04 79.07 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.894 -1.128 . . . . 0.0 109.666 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -76.39 -30.57 57.56 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.478 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' ' 31' ' ' GLU . 56.7 tp -74.84 -32.97 62.08 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mm -69.61 -43.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.58 -0.7 . . . . 0.0 109.755 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.456 ' O ' ' OG ' ' B' ' 41' ' ' SER . 16.6 t-20 -84.46 -25.35 28.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 111.338 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.599 HD21 ' HH ' ' B' ' 17' ' ' TYR . 53.6 t30 -87.5 -47.0 9.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.551 -1.343 . . . . 0.0 111.989 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.474 ' C ' ' H ' ' B' ' 41' ' ' SER . 39.7 tt0 -104.19 -57.5 2.02 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.875 -1.141 . . . . 0.0 110.602 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.21 32.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.162 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.43 -16.67 36.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.943 -1.098 . . . . 0.0 110.32 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -100.08 -20.52 15.98 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.875 -1.141 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.61 -47.39 3.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.399 -0.813 . . . . 0.0 109.425 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -99.44 139.2 35.44 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -47.32 128.93 12.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.479 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 1.5 mp0 -58.44 100.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.555 -0.715 . . . . 0.0 110.225 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mt -65.57 124.53 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 108.518 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -112.8 -21.88 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.25 150.6 20.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -93.12 -27.88 16.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.139 -0.975 . . . . 0.0 109.511 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -51.65 -29.6 18.45 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.392 -0.817 . . . . 0.0 110.382 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.23 -37.08 38.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.78 -1.2 . . . . 0.0 108.026 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -23.86 30.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.64 -34.03 60.51 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.02 -49.39 14.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -40.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' B' ' 61' ' ' ASP . 3.0 mmt -64.19 -27.62 69.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.94 -37.04 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.0 108.635 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.2 m -83.9 -28.64 27.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.577 -0.702 . . . . 0.0 109.303 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 62' ' ' GLU . 4.5 mm? -94.93 -47.44 6.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 110.971 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.1 t0 -57.28 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.99 -1.694 . . . . 0.0 109.575 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 60' ' ' LEU . 14.4 tp10 -91.17 -30.1 16.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.7 p-10 -82.64 -5.08 58.63 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.04 45.56 96.35 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.542 ' C ' ' H ' ' B' ' 67' ' ' GLU . 38.3 p-10 -103.47 -6.1 22.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.437 -1.037 . . . . 0.0 109.346 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.46 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.74 -5.11 6.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' B' ' 65' ' ' ASP . 47.4 mt-10 -122.31 170.45 9.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 54.9 m -127.29 94.66 4.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.089 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.531 ' CG ' ' HZ3' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -50.28 -173.31 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.8 -30.44 67.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.368 -1.457 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.39 -29.06 52.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.983 -1.073 . . . . 0.0 110.574 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.419 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 28.2 tt0 -91.38 -41.78 10.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.631 -1.293 . . . . 0.0 109.976 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.45 -39.18 82.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.807 -1.183 . . . . 0.0 108.365 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ttt -76.01 -16.08 60.03 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.058 -1.026 . . . . 0.0 108.421 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.441 ' O ' ' OG ' ' B' ' 78' ' ' SER . . . -72.18 -24.01 61.36 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 176.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -74.62 -42.14 59.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.488 -0.757 . . . . 0.0 109.329 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.47 -39.75 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 118.451 -1.3 . . . . 0.0 107.669 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 75' ' ' ALA . 20.8 p -63.63 -37.77 88.58 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -68.61 -25.7 64.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.42 -37.8 13.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 m -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 35.5 p -59.85 -45.16 93.3 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.278 -0.889 . . . . 0.0 110.635 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.83 52.0 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 120.837 -1.164 . . . . 0.0 108.149 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.84 -10.79 59.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.39 -41.84 5.4 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.237 -0.915 . . . . 0.0 110.717 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -79.58 -30.89 41.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.819 -1.176 . . . . 0.0 110.177 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.29 -47.98 69.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.039 -1.038 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -70.25 -37.2 74.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -89.73 33.43 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.42 100.04 1.69 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.126 -0.984 . . . . 0.0 109.495 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.346 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m -107.3 75.38 1.02 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.422 -0.799 . . . . 0.0 109.883 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -49.66 -31.2 10.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.315 -0.866 . . . . 0.0 108.909 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.25 -18.36 63.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.419 -0.8 . . . . 0.0 109.733 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -74.18 -28.3 61.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.197 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -69.27 -45.94 68.45 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.31 20.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.729 -0.607 . . . . 0.0 111.087 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 5.7 mtt -52.38 -38.59 59.25 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.173 -0.954 . . . . 0.0 110.511 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -77.05 -41.48 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.778 -1.201 . . . . 0.0 109.465 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.91 77.99 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.399 -0.813 . . . . 0.0 109.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 10.0 mp -79.84 -47.62 14.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.919 -1.113 . . . . 0.0 110.77 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mt -45.29 -32.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.745 -1.222 . . . . 0.0 109.982 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.84 -52.13 9.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.0 109.7 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.73 -25.7 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -64.38 -58.43 6.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.45 -0.782 . . . . 0.0 110.59 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.61 -26.36 37.84 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.74 -1.225 . . . . 0.0 111.262 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.51 -41.69 90.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.439 -1.413 . . . . 0.0 109.049 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.91 -42.76 32.11 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 108.851 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -59.31 -40.03 84.96 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.01 6.19 72.34 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -67.73 -50.97 54.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.77 -1.43 . . . . 0.0 108.58 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -156.08 161.21 40.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.323 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.73 -167.94 32.85 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.0 128.02 34.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.486 -1.008 . . . . 0.0 110.219 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 44.9 pttt -74.82 170.73 15.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.513 -0.742 . . . . 0.0 109.863 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t60 82.9 -7.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.962 -0.461 . . . . 0.0 110.396 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -135.05 146.75 49.26 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.268 -0.895 . . . . 0.0 108.623 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mp -93.81 134.91 35.66 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.981 0.896 . . . . 0.0 108.748 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' GLU . 31.1 mttm -109.57 158.91 17.55 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mtmm -45.95 -47.55 16.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.003 -1.061 . . . . 0.0 109.367 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -51.41 -16.49 0.57 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.186 -0.946 . . . . 0.0 108.66 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' ' 35' ' ' LEU . 33.2 mt-10 -99.77 -44.66 6.01 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.94 -54.02 47.68 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.225 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -66.0 -35.71 81.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.752 -1.217 . . . . 0.0 109.499 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.84 -32.16 46.03 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.983 -1.073 . . . . 0.0 109.899 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.6 tp -71.41 -34.99 70.83 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -67.36 -39.92 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.34 -22.78 38.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.538 -0.726 . . . . 0.0 111.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.77 -43.99 7.27 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.875 -1.141 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' A' ' 41' ' ' SER . 17.3 mp0 -105.53 -63.98 1.19 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.85 -1.157 . . . . 0.0 110.013 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 33.79 0.08 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -88.49 -19.57 26.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.88 -1.137 . . . . 0.0 110.708 -179.435 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -91.87 -26.36 18.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.929 -1.107 . . . . 0.0 109.308 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -103.02 -50.27 3.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.438 -0.789 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.79 136.93 32.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.962 -1.086 . . . . 0.0 108.522 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 47' ' ' ILE . 23.2 tt0 -49.36 134.93 18.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.0 109.758 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 2.0 pm0 -56.0 82.11 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.608 -0.682 . . . . 0.0 109.834 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.1 mt -55.89 125.0 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.342 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -113.38 -18.38 12.04 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -100.15 152.94 19.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 108.941 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.3 -26.52 17.28 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.27 -0.894 . . . . 0.0 110.227 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.45 -34.81 5.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.935 . . . . 0.0 111.094 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -74.5 -38.34 45.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.738 -1.226 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -22.99 30.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.76 35.58 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -34.03 23.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.473 -0.767 . . . . 0.0 108.988 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.8 OUTLIER -62.41 -42.91 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.047 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.5 mtt -60.0 -35.24 74.62 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -62.06 -30.27 70.87 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.04 -1.038 . . . . 0.0 108.732 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.8 m -88.54 -29.23 20.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.679 -0.638 . . . . 0.0 109.806 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.08 -42.45 6.37 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.0 t0 -55.87 104.93 0.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.334 -1.479 . . . . 0.0 110.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' B' ' 62' ' ' GLU . 57.4 tt0 -90.85 -45.04 9.03 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 7.4 p30 -77.9 -2.98 39.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.26 44.02 97.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -96.17 -4.79 41.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.47 -1.017 . . . . 0.0 109.842 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.85 7.71 50.14 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.339 -1.904 . . . . 0.0 108.339 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -129.03 173.11 10.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -127.44 91.54 3.33 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.396 -0.815 . . . . 0.0 110.84 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.499 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 41.6 t0 -54.11 -167.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.499 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 1.5 p90 -77.84 -30.52 51.07 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.461 -1.399 . . . . 0.0 111.334 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 2.7 pp0? -75.58 -33.27 60.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.832 -1.168 . . . . 0.0 110.524 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 50.2 tt0 -87.23 -38.03 16.7 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.841 -1.162 . . . . 0.0 108.212 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 109.052 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -77.11 -17.04 58.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.55 -18.97 50.61 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 176.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.73 -54.28 7.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.97 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 66.9 t -52.57 -33.83 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.111 -0.993 . . . . 0.0 108.525 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' THR . 0.8 OUTLIER -66.93 -35.17 79.39 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -72.42 -29.3 63.58 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.813 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.43 -31.62 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 48.7 m -74.73 -36.1 62.65 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 78' ' ' SER . 16.7 p -66.25 -37.14 84.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.024 -1.048 . . . . 0.0 110.21 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.92 76.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.768 -1.207 . . . . 0.0 108.555 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.75 -44.91 80.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 108.94 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.66 -28.04 63.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.352 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 90' ' ' HIS . 28.0 tp10 -68.27 -50.32 54.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 108.992 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.55 -45.93 77.19 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -74.48 -32.62 62.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -0.833 . . . . 0.0 109.715 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.41 -1.09 56.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.277 -0.889 . . . . 0.0 109.202 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' GLU . 15.6 t-80 -67.12 101.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 0.0 109.496 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.462 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.48 ' SD ' ' O ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m -107.47 75.38 1.01 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.786 . . . . 0.0 109.863 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -49.77 -30.92 10.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.314 -0.866 . . . . 0.0 108.899 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.34 -18.59 63.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -74.12 -28.28 61.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.876 -1.14 . . . . 0.0 108.183 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.24 -45.81 68.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 -55.3 20.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.816 -0.552 . . . . 0.0 111.072 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.6 mtt -52.35 -38.58 59.1 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.194 -0.941 . . . . 0.0 110.565 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.2 -41.31 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.203 . . . . 0.0 109.418 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.85 78.18 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.385 -0.822 . . . . 0.0 109.929 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 10.0 mp -79.9 -47.49 14.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.895 -1.128 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mt -45.26 -32.77 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.629 -1.294 . . . . 0.0 109.972 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.69 -52.4 9.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.047 -1.033 . . . . 0.0 109.731 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.81 -25.56 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.1 t80 -64.33 -58.39 6.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.494 -0.754 . . . . 0.0 110.627 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.71 -26.5 37.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.808 -1.182 . . . . 0.0 111.169 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -59.35 -41.71 89.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.398 -1.439 . . . . 0.0 109.015 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.88 -42.62 32.73 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 108.861 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -59.53 -39.99 85.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.92 6.13 72.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.84 -50.79 54.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.935 -1.333 . . . . 0.0 108.631 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -156.04 161.03 40.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.501 -0.749 . . . . 0.0 110.367 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.82 -167.91 33.27 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.08 128.0 34.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.453 -1.028 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 46.5 pttt -74.74 170.69 15.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.947 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t60 82.87 -6.87 1.25 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.961 -0.462 . . . . 0.0 110.479 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -135.16 146.67 48.98 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -93.61 134.91 35.41 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.968 0.89 . . . . 0.0 108.899 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' GLU . 32.8 mttm -109.62 158.73 17.76 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' B' ' 31' ' ' GLU . 27.6 mtmm -45.83 -47.37 15.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.951 -1.093 . . . . 0.0 109.389 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -51.43 -16.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.134 -0.978 . . . . 0.0 108.646 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 28' ' ' LYS . 33.6 mt-10 -99.73 -44.66 6.02 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -54.02 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.083 -1.01 . . . . 0.0 109.179 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -66.12 -35.74 81.31 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.795 -1.19 . . . . 0.0 109.427 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.76 -32.15 46.48 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.032 -1.042 . . . . 0.0 109.928 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 12.4 tp -71.4 -35.03 70.88 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.42 -39.88 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.39 -22.6 38.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.664 -0.648 . . . . 0.0 111.327 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.8 -43.94 7.29 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.882 -1.136 . . . . 0.0 112.198 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 41' ' ' SER . 17.5 mp0 -105.66 -63.86 1.2 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.852 -1.155 . . . . 0.0 110.032 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.22 34.06 0.09 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 108.626 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.517 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -88.63 -19.7 25.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.853 -1.154 . . . . 0.0 110.568 -179.574 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -91.85 -26.1 18.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.14 . . . . 0.0 109.376 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -103.05 -50.43 3.5 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.418 -0.801 . . . . 0.0 109.606 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 16.8 tp -88.83 136.99 32.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.939 -1.1 . . . . 0.0 108.592 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 47' ' ' ILE . 23.7 tt0 -49.4 134.92 18.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.768 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.0 pm0 -56.02 82.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' B' ' 45' ' ' GLU . 9.3 mt -55.79 125.17 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.066 -1.021 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -113.67 -18.16 11.95 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -100.05 152.75 19.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.435 -0.791 . . . . 0.0 108.93 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.46 -26.45 17.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.195 -0.941 . . . . 0.0 110.183 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -46.44 -34.98 5.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.205 -0.934 . . . . 0.0 111.03 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.9 m -74.42 -38.29 46.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.716 -1.24 . . . . 0.0 108.026 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -23.05 30.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.63 35.68 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -33.95 22.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 108.947 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.8 OUTLIER -62.32 -43.19 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 11.1 mtt -59.79 -35.13 74.03 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -62.15 -30.25 70.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 108.669 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 41.6 m -88.63 -29.06 20.23 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.567 -0.708 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.07 -42.31 6.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.286 -0.884 . . . . 0.0 110.69 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.0 t0 -55.94 104.99 0.16 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.411 -1.431 . . . . 0.0 110.145 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' A' ' 62' ' ' GLU . 58.4 tt0 -91.02 -44.82 9.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 7.7 p30 -78.04 -2.82 39.06 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.99 44.14 97.49 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -96.14 -4.89 41.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.338 -1.095 . . . . 0.0 109.792 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.73 8.06 50.92 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.37 173.07 10.88 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.485 ' O ' ' O ' ' B' ' 69' ' ' ASP . 98.5 m -127.54 91.64 3.34 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.48 -0.763 . . . . 0.0 110.783 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.496 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 41.9 t0 -54.13 -167.28 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.496 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 1.5 p90 -77.8 -30.66 51.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.518 -1.364 . . . . 0.0 111.321 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 2.7 pp0? -75.47 -33.31 60.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.741 -1.225 . . . . 0.0 110.664 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 50.5 tt0 -87.03 -38.07 16.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.769 -1.207 . . . . 0.0 108.336 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.14 -37.98 75.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.52 -0.737 . . . . 0.0 109.069 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -77.02 -17.19 58.99 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.5 -19.05 50.6 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -74.66 -54.47 7.35 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.715 -0.794 . . . . 0.0 108.99 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' B' ' 81' ' ' THR . 73.9 t -52.28 -33.79 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 108.664 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.484 ' O ' ' CG2' ' B' ' 82' ' ' THR . 0.8 OUTLIER -66.9 -35.2 79.46 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -72.18 -29.53 64.08 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -31.59 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 44.8 m -74.81 -36.12 62.46 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.511 ' O ' ' ND1' ' B' ' 85' ' ' HIS . 16.6 p -66.04 -37.4 85.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.087 -1.008 . . . . 0.0 110.285 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.65 75.59 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.918 -1.114 . . . . 0.0 108.704 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.85 -44.82 80.01 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.63 -28.03 63.5 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.305 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' B' ' 90' ' ' HIS . 27.9 tp10 -68.34 -50.24 54.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.0 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.63 -45.88 77.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 108.832 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.6 -32.6 62.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.719 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.47 -1.06 56.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 0.0 109.21 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' B' ' 86' ' ' GLU . 15.6 t-80 -67.26 101.24 0.89 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.054 -1.029 . . . . 0.0 109.437 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.454 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 31.5 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p -88.43 80.55 7.41 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.444 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -50.33 -33.07 18.91 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -71.81 -21.27 61.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.395 -0.815 . . . . 0.0 111.235 -178.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -70.66 -33.99 71.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.579 -1.326 . . . . 0.0 109.001 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.14 -45.5 66.68 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.657 -0.652 . . . . 0.0 109.47 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.91 -55.95 24.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.178 -0.951 . . . . 0.0 110.749 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -57.79 -37.47 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.913 -1.117 . . . . 0.0 109.002 -179.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.15 -54.31 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.504 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.44 68.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' PHE . 1.4 mt -79.58 -49.22 12.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.225 -0.922 . . . . 0.0 110.129 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.6 -36.74 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.128 -0.983 . . . . 0.0 109.136 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.033 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -72.86 -26.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.136 -0.977 . . . . 0.0 109.622 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -70.64 -44.11 67.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -78.43 -40.56 35.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.064 -1.022 . . . . 0.0 110.664 -178.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.06 -41.91 89.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.789 -1.194 . . . . 0.0 110.106 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.2 -56.44 3.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 109.616 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 2.2 m -58.74 -26.79 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.953 -1.092 . . . . 0.0 108.78 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -94.08 0.08 66.32 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -62.74 -46.3 88.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.051 -1.264 . . . . 0.0 108.665 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -161.0 153.36 20.37 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 118.06 -170.68 13.73 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -47.42 -69.97 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.47 -9.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.291 -0.88 . . . . 0.0 109.017 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.05 61.69 0.07 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.476 -1.39 . . . . 0.0 110.667 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -136.8 147.31 46.53 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.02 128.56 45.18 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.965 0.888 . . . . 0.0 110.709 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.9 mtmp? -110.97 161.02 16.27 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -46.7 -42.28 16.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.105 -0.997 . . . . 0.0 109.118 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -18.93 3.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' LYS . 56.0 mt-10 -99.72 -35.69 9.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.287 -0.883 . . . . 0.0 108.702 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -55.76 11.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.498 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -68.13 -33.67 74.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.964 -1.085 . . . . 0.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.44 -32.88 54.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.992 -1.068 . . . . 0.0 109.933 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.0 tp -70.02 -35.8 74.6 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -69.03 -40.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.619 -0.676 . . . . 0.0 110.324 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 69.2 m-80 -82.3 -24.63 34.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.022 -1.049 . . . . 0.0 111.588 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.25 -45.38 8.66 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.665 -1.272 . . . . 0.0 112.582 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' C ' ' H ' ' A' ' 41' ' ' SER . 30.5 tt0 -110.44 -60.06 1.86 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.857 -1.152 . . . . 0.0 110.25 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.74 28.78 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.92 -1.113 . . . . 0.0 108.432 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.601 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.53 -17.2 32.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 110.14 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.695 ' HD1' ' N ' ' A' ' 43' ' ' PHE . 1.3 p80 -89.37 -27.13 20.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.832 -1.168 . . . . 0.0 109.589 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.695 ' N ' ' HD1' ' A' ' 42' ' ' HIS . 2.2 m-85 -106.7 -47.46 3.74 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 tp -86.9 135.23 33.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.951 -1.093 . . . . 0.0 108.788 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 47' ' ' ILE . 83.7 mt-10 -50.2 135.34 21.37 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 10.0 mp0 -54.63 82.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.603 -0.686 . . . . 0.0 109.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.4 mt -59.19 125.58 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.067 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -115.61 -15.51 11.4 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.24 149.78 25.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.544 -0.723 . . . . 0.0 109.124 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' VAL . 18.3 mt-30 -86.57 -26.07 24.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.188 -0.945 . . . . 0.0 109.406 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -42.29 -39.13 2.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.444 -0.785 . . . . 0.0 110.835 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 p -75.11 -38.94 43.13 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.56 -23.82 32.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.55 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' GLN . 84.5 m-20 -77.63 -35.29 52.77 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -82.27 -43.88 16.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 109.161 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -37.14 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 120.477 -1.39 . . . . 0.0 107.446 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.1 tpp -63.62 -25.97 68.46 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -75.11 -30.72 60.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.124 -0.985 . . . . 0.0 109.445 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -87.86 -30.14 20.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.6 tp -88.75 -53.02 4.82 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.396 -0.815 . . . . 0.0 110.945 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 60.8 t0 -56.34 105.68 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.681 -1.262 . . . . 0.0 109.656 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -90.36 -43.97 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -75.93 -4.95 43.83 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.39 45.44 95.93 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.259 -1.936 . . . . 0.0 108.259 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 45.4 p30 -97.91 -6.31 32.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.387 -1.066 . . . . 0.0 109.965 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.32 8.88 84.14 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -138.35 172.59 12.68 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 69' ' ' ASP . 15.1 m -122.34 93.33 3.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.46 -0.775 . . . . 0.0 110.595 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -52.15 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' B' ' 78' ' ' SER . 0.4 OUTLIER -74.68 -29.67 61.3 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.279 -1.513 . . . . 0.0 110.747 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -66.23 -47.81 72.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.116 -0.99 . . . . 0.0 111.55 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.02 -30.92 19.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.423 -1.423 . . . . 0.0 109.102 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.6 t80 -52.92 -48.37 67.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.548 -1.345 . . . . 0.0 107.926 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.53 68.84 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.4 -18.34 1.59 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.999 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . 84.8 t80 -67.73 -56.19 10.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 62.1 t -53.95 -29.63 18.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 CA-C-O 122.042 0.925 . . . . 0.0 108.768 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' OG1' ' A' ' 82' ' ' THR . 7.0 t -69.24 -34.45 74.82 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.372 -0.83 . . . . 0.0 109.856 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.2 mtp -77.54 -29.49 52.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.49 -0.756 . . . . 0.0 110.0 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.55 -32.51 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 99.3 m -74.67 -35.86 62.81 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 78' ' ' SER . 7.8 p -68.69 -39.29 80.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.816 -1.178 . . . . 0.0 110.086 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.72 77.97 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.838 -1.164 . . . . 0.0 108.29 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.25 -17.06 64.19 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.936 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -105.45 -35.5 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.415 -0.803 . . . . 0.0 109.708 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.52 -35.36 75.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.005 -1.059 . . . . 0.0 109.152 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -73.03 -42.52 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.313 -0.867 . . . . 0.0 109.175 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.6 -7.96 43.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.215 -0.928 . . . . 0.0 109.014 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -99.86 -9.21 23.15 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.285 -0.885 . . . . 0.0 110.289 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -62.43 101.47 0.24 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.84 -1.162 . . . . 0.0 109.181 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.104 -0.95 . . . . 0.0 109.511 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p -88.29 80.93 7.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.136 -0.978 . . . . 0.0 109.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -50.7 -32.99 21.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.679 0.752 . . . . 0.0 109.118 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -71.66 -21.42 61.81 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 111.221 -178.647 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -70.68 -33.86 71.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.377 -1.452 . . . . 0.0 108.984 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.19 -45.43 66.66 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.584 -0.698 . . . . 0.0 109.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.19 -55.76 27.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 110.811 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -57.62 -37.52 73.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.984 -1.072 . . . . 0.0 108.979 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -68.14 -54.5 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.009 -1.057 . . . . 0.0 109.404 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.66 68.42 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.597 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' B' ' 14' ' ' PHE . 1.3 mt -79.46 -49.3 12.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.077 -1.014 . . . . 0.0 110.198 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mm -45.6 -36.73 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.039 -1.038 . . . . 0.0 109.142 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.21 -50.96 42.53 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.227 -0.92 . . . . 0.0 109.087 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.88 -26.48 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -70.49 -43.98 68.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.995 -1.066 . . . . 0.0 109.642 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' B' ' 19' ' ' GLY . 0.2 OUTLIER -78.57 -40.39 34.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.942 -1.099 . . . . 0.0 110.69 -178.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.21 -41.81 89.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.787 -1.196 . . . . 0.0 110.163 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.42 -56.33 3.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.892 -1.13 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -58.51 -27.05 64.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.883 -1.136 . . . . 0.0 108.667 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -94.15 0.23 66.28 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -63.1 -46.16 88.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.942 -1.329 . . . . 0.0 108.567 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 0.0 OUTLIER -160.66 153.54 21.24 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 117.92 -170.82 13.75 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -47.31 -69.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 0.0 109.406 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -9.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 108.951 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.28 61.84 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.437 -1.414 . . . . 0.0 110.62 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -137.01 147.31 46.17 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.07 128.62 45.24 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.259 -0.901 . . . . 0.0 110.675 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.96 161.21 16.08 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.577 ' HZ1' ' CB ' ' B' ' 29' ' ' LYS . 8.8 mtmp? -47.05 -42.02 17.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.08 -1.012 . . . . 0.0 109.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.457 ' H ' ' HG ' ' B' ' 30' ' ' SER . 0.3 OUTLIER -54.09 -18.78 4.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.046 179.229 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 28' ' ' LYS . 56.0 mt-10 -99.83 -35.52 9.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.226 -0.921 . . . . 0.0 108.678 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -55.64 11.68 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.352 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.18 -33.8 75.12 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.977 -1.077 . . . . 0.0 109.752 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.47 -32.9 54.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.019 -1.051 . . . . 0.0 109.811 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 18.7 tp -69.9 -35.88 74.95 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -69.21 -40.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.605 -0.684 . . . . 0.0 110.358 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 69.2 m-80 -82.43 -24.62 34.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.007 -1.058 . . . . 0.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -91.15 -45.46 8.65 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.709 -1.244 . . . . 0.0 112.502 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.602 ' C ' ' H ' ' B' ' 41' ' ' SER . 32.0 tt0 -110.24 -60.17 1.84 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.835 -1.166 . . . . 0.0 110.266 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.59 28.83 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.953 -1.092 . . . . 0.0 108.382 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.602 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -87.78 -17.0 32.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.065 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.687 ' HD1' ' N ' ' B' ' 43' ' ' PHE . 1.3 p80 -89.57 -27.09 20.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.944 -1.097 . . . . 0.0 109.605 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.687 ' N ' ' HD1' ' B' ' 42' ' ' HIS . 2.2 m-85 -106.92 -47.11 3.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 tp -87.15 135.16 33.4 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.956 -1.09 . . . . 0.0 108.803 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 47' ' ' ILE . 83.8 mt-10 -50.26 135.43 21.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.323 -0.861 . . . . 0.0 110.132 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 9.9 mp0 -54.64 82.72 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.583 -0.698 . . . . 0.0 109.85 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 45' ' ' GLU . 7.8 mt -59.26 125.53 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 0.0 108.962 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -115.71 -15.35 11.36 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -105.15 149.87 25.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.3 mt-30 -86.72 -26.24 24.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.159 -0.963 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 50' ' ' GLN . 58.6 mm-40 -41.95 -39.4 1.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.531 -0.73 . . . . 0.0 110.86 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.12 -38.59 42.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.69 -23.87 31.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' B' ' 50' ' ' GLN . 84.2 m-20 -77.46 -35.44 53.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -81.97 -44.29 16.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.516 -0.74 . . . . 0.0 109.245 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -37.35 59.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.508 -1.37 . . . . 0.0 107.426 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.45 -26.05 68.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.294 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -75.0 -30.69 61.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.141 -0.975 . . . . 0.0 109.508 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -88.12 -30.05 20.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.282 -0.886 . . . . 0.0 109.342 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.4 tp -88.83 -53.31 4.67 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 60.7 t0 -56.06 105.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.682 -1.261 . . . . 0.0 109.584 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -90.42 -43.77 10.07 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 0.4 OUTLIER -76.16 -4.82 43.75 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.46 95.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.9 p30 -97.95 -6.3 32.45 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.328 -1.101 . . . . 0.0 109.996 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 8.38 83.51 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -137.97 172.82 12.37 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 13.9 m -122.28 93.34 3.95 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.319 -0.863 . . . . 0.0 110.598 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.8 OUTLIER -52.16 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.42 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.4 OUTLIER -74.81 -29.62 61.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.315 -1.491 . . . . 0.0 110.785 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -66.12 -47.84 72.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 111.605 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -87.96 -31.07 19.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.337 -1.477 . . . . 0.0 109.094 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.7 t80 -52.82 -48.41 66.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.512 -1.367 . . . . 0.0 107.905 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.57 68.83 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.34 -18.26 1.52 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.997 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' B' ' 73' ' ' PHE . 84.9 t80 -67.7 -56.03 10.87 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' B' ' 81' ' ' THR . 58.0 t -54.19 -29.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.989 0.899 . . . . 0.0 108.7 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 70' ' ' PHE . 7.2 t -69.48 -34.09 73.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.374 -0.829 . . . . 0.0 109.917 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtp -77.59 -29.55 52.05 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.459 -0.775 . . . . 0.0 110.034 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.61 -32.39 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.5 m -74.63 -35.51 62.89 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 78' ' ' SER . 7.6 p -69.04 -39.25 79.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.868 -1.145 . . . . 0.0 110.086 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.7 77.82 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 55.2 m -65.45 -17.08 64.27 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.864 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -105.17 -35.49 7.57 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 109.819 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.39 -35.64 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.049 -1.032 . . . . 0.0 109.156 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.96 -42.47 63.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.394 -0.816 . . . . 0.0 109.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.61 -8.0 43.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.079 -1.013 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -99.93 -9.22 23.04 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -62.37 101.38 0.23 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.775 -1.203 . . . . 0.0 109.19 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.482 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -83.83 97.11 9.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.137 -0.977 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -63.39 -34.54 77.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.745 -0.597 . . . . 0.0 110.346 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -22.68 64.17 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.087 -1.008 . . . . 0.0 111.054 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -73.31 -35.28 66.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.755 -1.216 . . . . 0.0 109.988 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -67.47 -45.5 75.75 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.083 -1.011 . . . . 0.0 109.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.45 75.23 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.278 -0.889 . . . . 0.0 109.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.5 ttm -59.77 -35.89 75.55 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.461 -0.774 . . . . 0.0 110.243 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.21 -40.91 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.873 -1.142 . . . . 0.0 108.773 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.59 74.16 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.515 -0.741 . . . . 0.0 109.812 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -78.63 -46.7 18.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.874 -1.141 . . . . 0.0 109.936 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -45.74 -30.45 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.09 -1.006 . . . . 0.0 109.093 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.19 -50.86 17.43 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.322 -0.861 . . . . 0.0 108.796 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.23 -26.94 21.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m-85 -71.23 -49.18 46.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.953 -1.092 . . . . 0.0 110.002 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -76.31 -32.23 58.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.92 -1.112 . . . . 0.0 110.353 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.75 -41.81 82.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.025 -1.047 . . . . 0.0 110.551 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -86.12 -58.09 2.77 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.836 -1.165 . . . . 0.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.62 -27.04 4.12 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.911 -1.118 . . . . 0.0 108.976 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.23 3.33 54.79 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -58.65 -42.74 89.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.575 -1.544 . . . . 0.0 108.981 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.09 171.1 9.83 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.77 -125.04 7.11 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -80.44 -167.59 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -1.164 . . . . 0.0 109.63 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -88.68 -14.88 36.26 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 0.0 110.529 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.8 66.51 0.12 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.492 -1.38 . . . . 0.0 111.103 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -143.48 149.89 38.18 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -95.89 123.68 39.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.197 -0.939 . . . . 0.0 110.641 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 156.84 20.85 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 16.6 mttm -47.78 -45.56 29.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.708 -1.245 . . . . 0.0 109.725 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -50.71 -17.98 0.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.008 . . . . 0.0 109.108 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 35' ' ' LEU . 78.3 mt-10 -101.53 -39.27 7.59 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -49.61 68.6 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 109.145 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -37.03 79.26 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.044 -1.035 . . . . 0.0 108.612 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.54 -30.93 53.02 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' GLU . 21.8 tp -70.37 -37.58 74.58 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -69.05 -39.39 79.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 109.772 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.525 ' N ' HD21 ' A' ' 37' ' ' ASN . 1.7 m120 -79.02 -22.78 44.95 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 110.938 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.35 -20.14 19.37 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.794 -1.191 . . . . 0.0 112.789 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -129.99 -53.26 1.13 Allowed 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.75 -1.219 . . . . 0.0 110.379 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.6 mm? -85.89 31.44 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.012 -1.055 . . . . 0.0 108.657 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -83.18 -19.63 36.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.997 -1.064 . . . . 0.0 108.697 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.69 -21.97 28.08 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.2 -49.6 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.08 131.06 47.17 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.233 -0.917 . . . . 0.0 109.387 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.07 145.65 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 109.482 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 53.3 mp0 -62.57 107.09 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.267 -0.896 . . . . 0.0 109.572 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 pt -67.85 126.16 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.597 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.45 -13.44 18.7 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -119.2 120.55 37.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' VAL . 12.0 pt20 -59.54 -19.81 51.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLN . 73.3 mt-10 -41.33 -42.03 2.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.996 -1.065 . . . . 0.0 111.445 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.62 -35.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.759 -1.213 . . . . 0.0 108.024 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.26 -23.83 32.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -78.42 -35.93 46.35 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -74.66 -53.56 9.09 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.241 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.26 -38.61 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 66' ' ' GLY . 33.9 ttm -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.3 tm-20 -74.29 -37.61 63.62 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -76.91 -31.66 56.86 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.642 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 4.5 mm? -90.57 -45.64 8.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.158 -0.964 . . . . 0.0 110.469 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 62.8 t0 -56.13 98.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.509 -1.369 . . . . 0.0 109.533 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -90.44 -37.5 13.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 32.0 p-10 -80.55 -4.85 55.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.76 45.67 87.5 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 67' ' ' GLU . 23.2 p30 -99.61 -5.87 28.3 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.496 -1.003 . . . . 0.0 109.912 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.502 ' O ' ' SD ' ' A' ' 57' ' ' MET . . . 69.19 0.57 22.27 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.053 -2.019 . . . . 0.0 108.053 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' ASP . 98.7 mt-10 -128.26 173.56 10.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 69' ' ' ASP . 2.6 m -127.05 94.24 3.97 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.222 -0.924 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.0 p-10 -50.73 -171.63 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.0 -30.49 44.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.607 -1.308 . . . . 0.0 111.461 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -75.65 -36.5 60.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.939 -1.101 . . . . 0.0 110.049 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 60' ' ' LEU . 11.9 tt0 -85.57 -37.32 19.72 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.999 -1.063 . . . . 0.0 108.351 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 1.2 t80 -52.83 -46.74 67.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 108.703 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -43.64 78.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.49 -19.89 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.485 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -73.65 -55.26 6.51 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.828 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.95 -28.6 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.466 ' O ' ' CG2' ' A' ' 82' ' ' THR . 7.2 t -67.1 -34.54 77.86 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.8 -34.2 60.17 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.811 -0.556 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -31.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.503 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 55.1 m -73.24 -35.12 66.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' SER . 17.6 p -75.15 -36.44 61.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.999 -1.063 . . . . 0.0 111.172 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.85 91.69 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.447 -1.408 . . . . 0.0 108.525 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 81' ' ' THR . 23.3 p -66.32 -10.51 43.48 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.532 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' CE1' ' ND1' ' B' ' 15' ' ' HIS . 49.2 t60 -98.54 -38.08 9.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.455 -0.778 . . . . 0.0 109.341 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.63 -50.49 57.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.227 -0.921 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.24 -43.22 78.45 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 108.889 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.76 -28.68 69.62 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.432 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -88.97 -2.52 58.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.216 -0.927 . . . . 0.0 109.801 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.89 101.53 0.67 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.033 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.528 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.257 0.551 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -83.9 97.21 9.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.256 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -63.44 -34.4 77.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.811 -0.555 . . . . 0.0 110.35 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -22.59 64.0 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.138 -0.976 . . . . 0.0 111.107 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -73.48 -35.21 65.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.65 -1.281 . . . . 0.0 109.969 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.37 -45.53 76.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.162 -0.961 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.665 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 52.9 ttm -60.1 -35.88 76.18 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.615 -0.678 . . . . 0.0 110.194 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.12 -40.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.827 -1.171 . . . . 0.0 108.809 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.72 74.32 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.57 -46.67 18.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.855 -1.153 . . . . 0.0 109.963 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mm -45.75 -30.46 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.101 -0.999 . . . . 0.0 108.994 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -74.1 -50.98 17.11 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.221 -0.925 . . . . 0.0 108.821 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 t -74.13 -26.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.255 -0.903 . . . . 0.0 109.394 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.5 m-85 -71.19 -49.15 46.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.929 -1.107 . . . . 0.0 110.081 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.447 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.45 -32.14 58.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.071 . . . . 0.0 110.313 -178.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.81 -41.85 82.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.997 -1.065 . . . . 0.0 110.535 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -86.18 -57.96 2.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 109.845 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.43 ' H ' ' HG ' ' B' ' 18' ' ' SER . 3.7 m -49.72 -27.01 4.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.943 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.12 3.1 55.1 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -58.64 -42.7 88.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.603 -1.527 . . . . 0.0 109.002 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.05 171.01 9.95 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.826 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.02 -125.11 7.18 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 0.5 OUTLIER -80.43 -167.39 1.32 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.335 -1.097 . . . . 0.0 109.592 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -88.92 -14.95 35.54 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.34 -0.85 . . . . 0.0 110.435 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.64 66.57 0.12 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.607 -1.308 . . . . 0.0 111.017 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -143.55 149.88 38.07 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.2 tt -95.9 123.58 39.55 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.212 -0.93 . . . . 0.0 110.613 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 156.9 20.64 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.469 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 16.6 mttm -47.93 -45.39 30.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 0.0 109.709 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -50.78 -17.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 109.08 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 35' ' ' LEU . 77.9 mt-10 -101.62 -39.47 7.46 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -49.34 69.78 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.252 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -36.95 78.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.982 -1.074 . . . . 0.0 108.617 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.51 -30.88 53.16 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.793 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.1 tp -70.36 -37.6 74.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.9 mt -69.14 -39.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.726 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.522 HD21 ' N ' ' B' ' 37' ' ' ASN . 1.7 m120 -79.15 -22.72 44.66 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.385 -0.822 . . . . 0.0 110.923 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -95.41 -20.07 19.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.757 -1.215 . . . . 0.0 112.823 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.96 -53.26 1.13 Allowed 'General case' 0 N--CA 1.509 2.511 0 O-C-N 120.62 -1.3 . . . . 0.0 110.406 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 1.6 mm? -85.89 31.56 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.079 -1.013 . . . . 0.0 108.596 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -83.25 -19.91 35.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.993 -1.067 . . . . 0.0 108.645 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.64 -21.86 28.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -107.25 -49.46 3.26 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -101.29 130.88 47.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.35 -0.844 . . . . 0.0 109.382 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.11 145.67 25.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 52.9 mp0 -62.46 107.13 0.87 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.196 -0.94 . . . . 0.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 pt -67.84 125.97 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.594 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -100.33 -13.51 18.78 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -119.18 120.55 37.41 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 53' ' ' VAL . 12.3 pt20 -59.62 -19.69 50.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.25 -0.906 . . . . 0.0 109.958 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -41.32 -42.02 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.081 -1.012 . . . . 0.0 111.38 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.67 -35.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.735 -1.228 . . . . 0.0 107.997 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.15 -24.0 32.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.41 -35.95 46.38 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -53.81 8.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.482 -0.761 . . . . 0.0 109.104 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.21 -38.62 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 66' ' ' GLY . 33.6 ttm -61.04 -24.66 66.36 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -74.31 -37.42 63.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 108.758 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.3 m -76.95 -31.73 56.8 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 4.5 mm? -90.58 -45.57 8.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.106 -0.996 . . . . 0.0 110.401 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 62.9 t0 -56.26 98.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.505 -1.372 . . . . 0.0 109.562 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -90.22 -37.63 14.0 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.8 p-10 -80.57 -4.91 55.83 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.91 45.65 86.77 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' B' ' 67' ' ' GLU . 22.8 p30 -99.61 -5.97 28.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.408 -1.054 . . . . 0.0 109.956 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' B' ' 57' ' ' MET . . . 69.27 0.67 23.43 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -128.36 173.58 10.06 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.517 ' O ' ' O ' ' B' ' 69' ' ' ASP . 2.8 m -127.06 94.11 3.93 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.259 -0.901 . . . . 0.0 110.214 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' B' ' 68' ' ' CYS . 2.0 p-10 -50.65 -171.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -78.92 -30.53 44.8 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.641 -1.287 . . . . 0.0 111.362 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -75.75 -36.52 59.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.944 -1.098 . . . . 0.0 109.97 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' O ' ' B' ' 60' ' ' LEU . 11.7 tt0 -85.5 -37.25 19.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.092 -1.005 . . . . 0.0 108.349 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 1.2 t80 -53.01 -46.59 68.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 108.645 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -43.65 79.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.52 -19.9 2.57 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.326 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -73.73 -55.17 6.58 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.734 -1.187 . . . . 0.0 108.878 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.2 t -54.86 -28.7 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.462 ' O ' ' CG2' ' B' ' 82' ' ' THR . 7.0 t -67.0 -34.57 78.04 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.73 -34.31 60.31 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.842 -0.536 . . . . 0.0 109.964 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.22 -31.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.8 m -73.53 -34.92 65.45 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' B' ' 78' ' ' SER . 17.9 p -75.22 -36.33 61.36 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.997 -1.064 . . . . 0.0 111.209 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.8 91.63 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.254 -1.529 . . . . 0.0 108.515 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 81' ' ' THR . 23.2 p -66.23 -10.65 44.01 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.141 -1.023 . . . . 0.0 108.517 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.439 ' CE1' ' ND1' ' A' ' 15' ' ' HIS . 49.0 t60 -98.36 -38.17 9.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 109.377 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.66 -50.26 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.324 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 108.849 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.79 -28.57 69.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 109.497 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -89.05 -2.55 58.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.266 -0.896 . . . . 0.0 109.843 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -65.91 101.52 0.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.006 -1.059 . . . . 0.0 109.029 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.502 -179.691 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.527 0.679 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m -94.09 76.1 4.07 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -48.8 -33.14 9.86 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -19.89 64.55 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 109.941 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -73.25 -27.34 61.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.768 -1.208 . . . . 0.0 107.836 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -68.12 -47.0 69.33 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.33 -54.83 26.81 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.484 0.659 . . . . 0.0 109.931 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -49.91 -39.91 41.55 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.265 -0.897 . . . . 0.0 110.09 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.28 -39.17 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 109.712 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.94 71.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 109.484 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.4 mp -79.97 -48.75 12.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.021 -1.05 . . . . 0.0 110.215 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.73 -38.89 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.128 -0.983 . . . . 0.0 109.476 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.04 -51.37 47.58 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.218 -0.926 . . . . 0.0 109.502 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.49 -26.89 20.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.414 -0.804 . . . . 0.0 110.151 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 m-85 -72.63 -45.9 56.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.093 . . . . 0.0 109.983 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -75.71 -32.7 60.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.897 -1.127 . . . . 0.0 110.393 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.91 -40.44 91.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.754 -1.216 . . . . 0.0 109.653 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 29.0 m-85 -90.35 -58.2 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.087 . . . . 0.0 109.346 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 2.2 t -55.71 -26.19 43.98 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 108.85 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.63 -1.06 62.21 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -64.36 -45.26 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.826 -1.397 . . . . 0.0 108.892 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.86 162.63 23.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.435 -0.791 . . . . 0.0 109.297 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 105.65 -143.24 15.67 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 25' ' ' HIS . 26.1 t0 -78.43 29.98 0.19 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.259 -1.142 . . . . 0.0 109.385 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' GLY . 4.2 tmtp? 66.24 -12.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.325 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' H ' ' C ' ' A' ' 23' ' ' ASP . 30.2 m-70 -152.14 47.98 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.864 -1.148 . . . . 0.0 109.751 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 18' ' ' SER . 27.8 ttmt -141.18 148.71 40.42 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -95.28 130.33 42.08 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.111 -0.993 . . . . 0.0 110.806 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -110.9 159.52 17.62 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 176.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -45.76 -47.81 15.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.854 -1.153 . . . . 0.0 109.804 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.9 -19.99 2.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -97.8 -28.94 13.64 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.234 -0.916 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.37 -53.57 6.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.181 -0.95 . . . . 0.0 109.649 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -67.96 -35.39 78.3 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 109.489 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -76.9 -31.53 56.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.035 -1.04 . . . . 0.0 109.746 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.5 tp -73.63 -33.92 64.77 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.962 -1.087 . . . . 0.0 108.598 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.16 -41.21 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.525 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.05 -22.93 36.14 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.247 -0.908 . . . . 0.0 111.41 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -88.96 -45.76 9.42 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.362 -1.462 . . . . 0.0 112.217 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.07 -46.64 3.86 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.9 -1.125 . . . . 0.0 110.675 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.42 32.22 0.72 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.937 -1.102 . . . . 0.0 109.779 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -15.86 38.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.843 -1.161 . . . . 0.0 110.175 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.1 -30.35 14.7 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.08 -1.012 . . . . 0.0 110.262 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.99 -58.56 1.85 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.205 -0.935 . . . . 0.0 109.031 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.1 tp -79.94 138.42 37.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 47' ' ' ILE . 50.1 mt-10 -49.06 130.15 18.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.209 -0.932 . . . . 0.0 110.281 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.95 84.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.7 mt -55.36 129.49 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 108.797 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -115.36 -18.64 10.98 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.41 152.21 21.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.408 -0.807 . . . . 0.0 109.253 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' VAL . 2.8 pt20 -92.8 -29.3 16.07 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.06 -1.025 . . . . 0.0 110.396 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -44.92 -33.82 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.28 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.48 -37.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.78 -24.39 34.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.7 -34.1 52.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -78.88 -49.37 12.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.585 -0.697 . . . . 0.0 109.572 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -53.18 -40.22 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.736 -1.227 . . . . 0.0 108.06 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.7 mmm -59.38 -31.95 69.69 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.21 -36.95 85.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.871 . . . . 0.0 109.155 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -81.27 -32.21 33.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.401 -0.812 . . . . 0.0 109.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.2 -48.33 6.24 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.258 -0.901 . . . . 0.0 111.242 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.7 t0 -56.02 104.12 0.13 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.227 -1.546 . . . . 0.0 109.197 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' CD ' HE22 ' A' ' 71' ' ' GLN . 10.3 pt-20 -90.98 -44.34 9.39 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p30 -75.21 -3.75 34.88 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.15 44.86 94.62 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.946 -2.062 . . . . 0.0 107.946 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -96.2 -3.76 43.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.582 -0.952 . . . . 0.0 109.196 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.46 0.31 62.22 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.007 -2.037 . . . . 0.0 108.007 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.2 170.56 11.13 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 65.7 m -122.96 91.49 3.5 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.437 -0.79 . . . . 0.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 34.0 t0 -49.76 178.46 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -72.56 -29.3 63.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.055 . . . . 0.0 111.02 -179.314 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.484 HE22 ' CD ' ' A' ' 62' ' ' GLU . 2.0 pp0? -73.36 -37.86 65.9 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.747 -1.22 . . . . 0.0 111.275 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 5.9 pt-20 -89.52 -35.36 15.98 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.381 -1.449 . . . . 0.0 108.312 178.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.407 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.3 t80 -51.31 -45.29 62.16 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -60.5 -45.14 94.85 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.31 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.57 -20.26 1.87 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.468 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.85 -51.1 13.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.053 -1.029 . . . . 0.0 108.733 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.5 t -56.47 -37.3 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.152 -0.968 . . . . 0.0 109.003 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' CB ' ' SD ' ' B' ' 74' ' ' MET . 0.1 OUTLIER -67.03 -31.05 71.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.284 -0.885 . . . . 0.0 109.117 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -71.54 -26.23 62.55 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -86.52 -34.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -72.99 -35.59 66.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.2 p -65.05 -40.35 94.64 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.573 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.9 92.72 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.956 -1.09 . . . . 0.0 108.546 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -66.85 -17.72 65.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -103.45 -35.54 8.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.538 -0.726 . . . . 0.0 109.527 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -76.7 -46.01 27.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.336 -0.853 . . . . 0.0 111.15 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.27 -41.48 94.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.905 -1.122 . . . . 0.0 110.055 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -86.16 18.82 2.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.952 -1.093 . . . . 0.0 109.752 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -84.8 -114.44 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 108.998 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -71.15 99.55 1.89 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.971 -1.081 . . . . 0.0 109.501 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.465 179.767 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.468 0.651 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m -94.07 75.9 4.09 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.362 -0.836 . . . . 0.0 109.798 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -48.49 -33.88 10.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.463 -0.773 . . . . 0.0 109.162 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -19.75 64.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.166 -0.959 . . . . 0.0 109.752 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -73.18 -27.7 61.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.699 -1.25 . . . . 0.0 107.993 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -67.93 -47.11 69.63 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.82 -54.26 33.99 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.239 0.542 . . . . 0.0 110.098 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.5 mtt -50.33 -39.41 46.04 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.945 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.19 -38.65 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.982 -1.073 . . . . 0.0 109.577 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.33 70.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.216 -0.927 . . . . 0.0 109.536 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.1 mp -79.77 -48.87 12.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mt -46.12 -38.54 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.97 -1.081 . . . . 0.0 109.494 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -68.31 -51.13 48.17 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.62 -26.81 20.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 110.191 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.7 m-85 -72.6 -46.15 55.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.063 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.21 -32.59 61.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 110.47 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.22 -40.9 90.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.806 -1.184 . . . . 0.0 109.624 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 28.9 m-85 -90.22 -58.03 2.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.921 -1.112 . . . . 0.0 109.354 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 2.8 t -56.01 -26.48 48.91 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.916 -1.115 . . . . 0.0 108.926 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.65 -0.48 62.52 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -64.23 -45.62 87.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.839 -1.389 . . . . 0.0 108.641 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.21 161.48 22.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.527 -0.733 . . . . 0.0 109.292 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 107.47 -143.33 15.91 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.544 ' C ' ' H ' ' B' ' 25' ' ' HIS . 26.2 t0 -78.58 29.05 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -1.136 . . . . 0.0 109.44 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' B' ' 22' ' ' GLY . 3.8 tmtp? 67.14 -12.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 109.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.544 ' H ' ' C ' ' B' ' 23' ' ' ASP . 33.6 m-70 -152.26 47.93 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.949 -1.094 . . . . 0.0 109.499 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' B' ' 18' ' ' SER . 27.7 ttmt -141.34 148.95 40.51 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.79 129.95 42.86 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.041 -1.037 . . . . 0.0 110.761 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -110.59 159.03 17.93 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 28' ' ' LYS . 37.6 mttm -45.44 -47.85 13.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.815 -1.178 . . . . 0.0 109.577 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -52.16 -19.81 2.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.113 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' B' ' 28' ' ' LYS . 60.6 mt-10 -97.82 -28.24 13.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.121 -0.987 . . . . 0.0 109.283 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.79 -54.21 6.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.251 -0.906 . . . . 0.0 109.603 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.0 -1.063 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.07 -31.34 55.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.941 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.81 -34.54 64.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 108.589 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.404 HG22 HD13 ' B' ' 36' ' ' ILE . 65.3 mt -66.37 -41.41 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.554 -0.716 . . . . 0.0 109.449 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -81.94 -23.28 36.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.406 -0.809 . . . . 0.0 111.528 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -88.86 -45.64 9.57 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.388 -1.445 . . . . 0.0 112.232 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -106.97 -46.8 3.84 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.917 -1.115 . . . . 0.0 110.793 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 31.58 0.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.959 -1.088 . . . . 0.0 109.845 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -15.96 39.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.975 -1.078 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -94.31 -31.05 14.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.933 -1.104 . . . . 0.0 110.115 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.01 -59.06 1.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.071 -1.018 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 51.5 tp -79.58 138.84 37.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.019 -1.051 . . . . 0.0 108.688 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 47' ' ' ILE . 47.6 mt-10 -49.07 130.12 18.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.065 -1.022 . . . . 0.0 110.374 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.37 84.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.972 . . . . 0.0 109.477 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' B' ' 45' ' ' GLU . 5.5 mt -55.64 129.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -115.32 -18.06 11.15 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.68 151.97 21.39 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.739 . . . . 0.0 109.26 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' B' ' 53' ' ' VAL . 3.2 pt20 -92.71 -29.19 16.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.212 -0.93 . . . . 0.0 110.329 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -45.34 -33.53 2.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 110.112 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 27.5 m -74.57 -37.79 44.45 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -65.71 -23.83 33.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -78.5 -33.72 47.95 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -79.23 -49.34 12.66 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.37 -40.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.773 -1.205 . . . . 0.0 108.162 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.576 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.8 mmm -59.68 -31.48 69.6 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.16 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -65.26 -36.29 83.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 0.0 109.085 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -82.04 -31.58 30.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.44 -0.787 . . . . 0.0 109.754 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' B' ' 60' ' ' LEU . 4.4 mm? -94.61 -48.64 5.99 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.275 -0.891 . . . . 0.0 111.35 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.2 t0 -55.77 104.2 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.251 -1.53 . . . . 0.0 109.107 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.536 ' CD ' HE22 ' B' ' 71' ' ' GLN . 10.0 pt-20 -90.91 -44.55 9.3 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' B' ' 62' ' ' GLU . 1.3 p30 -74.61 -4.88 39.75 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.98 44.99 95.83 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -96.28 -3.8 43.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.575 -0.956 . . . . 0.0 109.218 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -0.09 62.78 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.03 169.88 11.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.576 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 63.3 m -122.15 91.79 3.58 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 109.984 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 32.2 t0 -49.99 179.16 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.5 OUTLIER -73.21 -29.0 62.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.12 -0.988 . . . . 0.0 110.852 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.536 HE22 ' CD ' ' B' ' 62' ' ' GLU . 1.9 pp0? -73.8 -38.12 64.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.955 -1.091 . . . . 0.0 110.932 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 5.2 pt-20 -89.19 -35.28 16.31 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.224 -1.547 . . . . 0.0 108.301 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.405 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.3 t80 -51.41 -45.27 62.5 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 178.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.66 -20.08 1.88 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.565 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -75.91 -50.78 14.02 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.074 -1.016 . . . . 0.0 108.693 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.86 -36.96 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.12 -0.987 . . . . 0.0 109.085 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -31.72 72.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.248 -0.908 . . . . 0.0 109.154 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.6 ttp -70.9 -27.09 63.53 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.13 -34.78 8.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -73.29 -35.42 66.12 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 15.3 p -65.35 -40.55 93.77 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.678 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.2 90.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.13 . . . . 0.0 108.546 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.03 -16.28 63.97 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.038 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -103.7 -36.15 7.98 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.434 -0.791 . . . . 0.0 109.439 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.64 -45.4 30.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 111.254 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -66.3 -40.82 90.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.822 -1.174 . . . . 0.0 109.98 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -86.14 18.57 3.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.075 . . . . 0.0 109.538 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.57 -114.63 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.211 -0.931 . . . . 0.0 109.097 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -70.98 99.57 1.81 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.168 -0.958 . . . . 0.0 109.498 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.394 179.686 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 58.8 mtm . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.405 0.621 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.524 ' H ' ' HG ' ' A' ' 1' ' ' SER . 0.8 OUTLIER -92.0 83.72 5.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.316 -0.865 . . . . 0.0 109.458 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.41 -32.77 40.66 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.66 -19.43 62.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.321 -0.862 . . . . 0.0 110.499 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -36.19 73.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.8 -1.187 . . . . 0.0 109.029 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.48 -47.33 49.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -56.13 25.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.306 -0.871 . . . . 0.0 110.604 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' B' ' 80' ' ' VAL . 13.1 mtm -53.2 -37.61 62.12 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.334 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 t -69.97 -48.67 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.0 109.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -35.35 64.81 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 110.193 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.8 mp -79.35 -46.22 18.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 mm -44.64 -48.61 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.509 -1.369 . . . . 0.0 109.822 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.11 -48.35 73.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.005 -1.06 . . . . 0.0 109.561 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 t -70.93 -26.74 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.317 -0.865 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 33.9 t80 -72.37 -50.7 24.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 109.564 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -30.68 59.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.885 . . . . 0.0 110.36 -178.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.17 -45.69 83.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.001 -1.062 . . . . 0.0 110.104 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -84.91 -55.56 4.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.962 -1.086 . . . . 0.0 109.301 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.0 p -52.9 -27.47 18.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.029 -1.044 . . . . 0.0 108.437 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.87 61.91 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 34' ' ' GLU . 44.3 ttt85 -63.41 -44.32 94.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.73 -1.453 . . . . 0.0 109.336 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.1 170.87 19.58 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.665 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.51 -175.46 2.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -44.41 105.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.665 -0.903 . . . . 0.0 109.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 88.8 mttt -52.54 169.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.421 -0.799 . . . . 0.0 109.887 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 8.2 m-70 69.12 3.78 4.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.5 -0.75 . . . . 0.0 111.275 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.9 145.23 50.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.4 tt -93.89 125.18 38.36 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.691 -0.631 . . . . 0.0 109.735 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.6 mtmp? -110.54 157.97 19.06 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.575 -0.703 . . . . 0.0 110.006 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' CB ' ' HZ3' ' A' ' 29' ' ' LYS . 3.9 ttpm? -48.96 -45.41 41.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.851 -1.156 . . . . 0.0 109.139 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -57.48 -20.25 29.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.137 -0.977 . . . . 0.0 108.613 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LYS . 87.2 mt-10 -98.92 -26.05 14.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.2 -58.62 2.98 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.89 -36.17 82.44 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.925 -1.109 . . . . 0.0 109.566 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' A' ' 20' ' ' ARG . 82.7 tt0 -73.76 -30.52 62.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.973 -1.08 . . . . 0.0 109.37 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.02 -34.71 61.93 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.8 mm -60.03 -45.87 94.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.684 0.754 . . . . 0.0 109.451 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.24 -22.18 42.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.66 -0.65 . . . . 0.0 111.797 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.79 -43.98 7.98 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.754 -1.216 . . . . 0.0 112.97 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' A' ' 41' ' ' SER . 4.9 tp10 -108.47 -63.48 1.33 Allowed 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.756 -1.215 . . . . 0.0 110.5 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 3.6 mm? -72.09 30.09 0.05 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.822 -1.174 . . . . 0.0 108.639 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.579 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -92.08 -16.81 25.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.986 -1.071 . . . . 0.0 110.403 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.31 -22.87 20.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.707 -1.245 . . . . 0.0 110.144 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.15 -22.53 11.38 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.419 -0.801 . . . . 0.0 109.117 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.05 135.41 50.92 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -48.91 135.35 15.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.962 . . . . 0.0 109.45 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -56.32 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 110.196 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 47' ' ' ILE . 40.4 mt -70.73 124.39 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 108.76 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -111.12 -14.72 13.84 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 29.2 mp0 -109.6 133.66 52.85 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' VAL . 31.5 mt-30 -69.08 -19.79 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.149 -0.969 . . . . 0.0 109.489 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -40.59 -42.54 1.71 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.448 -0.782 . . . . 0.0 111.114 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -37.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 50' ' ' GLN . 41.0 t -67.67 -23.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.0 m-20 -77.82 -34.8 51.83 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -84.7 -40.54 17.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.733 -0.604 . . . . 0.0 109.453 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -38.5 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.707 -1.246 . . . . 0.0 108.44 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.8 mtp -64.64 -33.24 75.47 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.385 -0.822 . . . . 0.0 108.824 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.46 -33.74 74.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.405 -0.81 . . . . 0.0 109.222 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -83.0 -28.09 29.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.387 -0.821 . . . . 0.0 109.731 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.0 -46.23 6.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 110.198 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' OD2' ' N ' ' A' ' 66' ' ' GLY . 48.6 t0 -55.88 102.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.351 . . . . 0.0 108.798 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.05 -43.45 10.5 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.8 p30 -76.06 -3.02 33.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 42.82 93.55 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -92.56 -5.63 51.28 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.546 -0.973 . . . . 0.0 109.215 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 80.57 2.83 90.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -135.29 169.52 17.35 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' ASP . 1.6 m -120.77 95.41 4.7 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 15.8 m-20 -54.05 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.622 ' CE2' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -68.88 -60.61 2.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.067 -1.021 . . . . 0.0 110.636 -179.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.6 -39.77 5.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.174 -0.954 . . . . 0.0 112.262 -177.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 4.4 pt-20 -90.43 -37.46 13.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.179 -1.576 . . . . 0.0 108.875 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.5 t80 -53.26 -44.33 68.12 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.577 -1.327 . . . . 0.0 108.054 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.511 ' SD ' ' OG ' ' B' ' 78' ' ' SER . 0.1 OUTLIER -59.13 -44.66 92.06 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.19 -21.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.181 -1.008 . . . . 0.0 109.398 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -76.13 -49.77 16.45 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.954 -1.099 . . . . 0.0 108.336 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.411 ' O ' ' OG1' ' A' ' 81' ' ' THR . 97.6 t -55.96 -40.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.502 -0.749 . . . . 0.0 109.501 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -69.0 -24.67 64.25 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 ttt -73.16 -31.16 64.08 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' SD ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -86.49 -33.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 13.8 m -65.4 -40.31 93.26 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 78' ' ' SER . 17.6 p -58.85 -42.47 89.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.073 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.59 82.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.689 -1.257 . . . . 0.0 108.105 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.36 -16.37 60.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.47 -34.76 10.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.387 -0.821 . . . . 0.0 108.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -76.52 -36.08 57.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.547 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -65.65 -52.76 49.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.458 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -61.38 -50.44 72.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.343 -0.848 . . . . 0.0 109.525 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.03 26.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 109.44 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.52 100.57 1.12 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.108 -0.995 . . . . 0.0 109.217 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.165 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.1 mtm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.98 83.65 5.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 109.433 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.18 -32.95 38.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.7 -19.51 62.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -0.808 . . . . 0.0 110.507 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -35.98 73.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.695 -1.253 . . . . 0.0 108.992 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.61 -47.29 48.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.508 -0.745 . . . . 0.0 109.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.32 23.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.839 . . . . 0.0 110.583 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 80' ' ' VAL . 12.9 mtm -53.09 -37.74 61.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.201 -0.937 . . . . 0.0 109.294 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.96 -48.56 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.225 -0.922 . . . . 0.0 109.047 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.22 65.18 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.625 -0.672 . . . . 0.0 110.226 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' B' ' 14' ' ' PHE . 6.9 mp -79.37 -46.15 18.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.854 -1.154 . . . . 0.0 111.061 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -44.62 -48.72 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.487 -1.383 . . . . 0.0 109.847 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.0 -48.36 74.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -70.97 -26.67 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 0.0 109.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 33.7 t80 -72.52 -50.45 25.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 109.601 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.76 59.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.289 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.14 -45.65 84.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.016 -1.053 . . . . 0.0 110.098 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -85.04 -55.49 4.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.008 -1.057 . . . . 0.0 109.291 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -52.84 -27.45 18.35 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.049 -1.032 . . . . 0.0 108.469 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.43 3.93 61.75 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' B' ' 34' ' ' GLU . 44.2 ttt85 -63.48 -44.44 94.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.752 -1.44 . . . . 0.0 109.22 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.01 170.87 19.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.658 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.46 -175.48 2.47 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -44.34 105.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.706 -0.879 . . . . 0.0 109.916 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.42 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 88.5 mttt -52.52 168.94 0.09 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.43 -0.794 . . . . 0.0 109.882 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.42 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 8.3 m-70 69.2 3.71 4.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.78 145.16 50.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.116 -0.99 . . . . 0.0 108.966 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.4 tt -93.78 125.17 38.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.647 -0.658 . . . . 0.0 109.757 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.51 157.99 19.02 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.614 -0.679 . . . . 0.0 109.958 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HZ1' ' CB ' ' B' ' 29' ' ' LYS . 3.9 ttpm? -48.92 -45.48 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.818 -1.176 . . . . 0.0 109.088 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 m -57.48 -20.07 28.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' B' ' 28' ' ' LYS . 87.6 mt-10 -99.03 -26.12 14.34 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -58.75 2.93 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.226 -0.921 . . . . 0.0 109.145 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -36.3 82.67 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 120.891 -1.131 . . . . 0.0 109.486 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 82.8 tt0 -73.76 -30.5 62.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 35.3 tp -75.01 -34.8 61.97 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.97 -45.84 94.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 121.68 0.752 . . . . 0.0 109.571 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.26 -22.19 41.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.672 -0.642 . . . . 0.0 111.682 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.77 -43.97 7.99 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.643 -1.286 . . . . 0.0 112.928 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' B' ' 41' ' ' SER . 4.9 tp10 -108.56 -63.51 1.33 Allowed 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.677 -1.264 . . . . 0.0 110.461 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 3.6 mm? -72.12 30.11 0.05 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.87 -1.144 . . . . 0.0 108.706 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.569 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.06 -16.91 25.78 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.045 -1.034 . . . . 0.0 110.439 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -91.32 -22.75 20.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.779 -1.2 . . . . 0.0 110.166 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -111.12 -22.69 11.31 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -109.86 135.39 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -48.9 135.33 15.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.525 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -56.21 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 110.235 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 40.7 mt -70.85 124.55 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -111.25 -14.74 13.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 29.2 mp0 -109.41 133.71 52.74 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' B' ' 53' ' ' VAL . 31.4 mt-30 -69.23 -19.68 63.95 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 50' ' ' GLN . 31.7 mt-10 -40.64 -42.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 0.0 111.095 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -37.88 66.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 50' ' ' GLN . 40.2 t -67.7 -23.66 29.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.3 m-20 -77.81 -34.91 51.9 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -84.62 -40.71 17.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.678 -0.639 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -38.53 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.622 -1.299 . . . . 0.0 108.509 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 30.1 mtp -64.65 -33.28 75.58 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.4 -33.86 74.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -83.01 -28.05 29.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.405 -0.809 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.09 -46.1 6.3 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 48.5 t0 -56.03 102.43 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.39 -1.444 . . . . 0.0 108.783 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -89.95 -43.45 10.55 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -76.03 -3.04 33.61 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.22 42.8 93.57 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -92.51 -5.57 51.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.613 -0.934 . . . . 0.0 109.266 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 80.38 2.99 89.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -135.17 169.45 17.43 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' B' ' 69' ' ' ASP . 1.6 m -120.86 95.17 4.6 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.346 -0.846 . . . . 0.0 110.29 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.491 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 15.6 m-20 -53.86 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -68.92 -60.69 2.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.049 -1.032 . . . . 0.0 110.551 -179.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -44.54 -39.91 5.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.116 -0.99 . . . . 0.0 112.126 -177.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.4 pt-20 -90.39 -37.42 14.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.192 -1.568 . . . . 0.0 108.878 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.5 t80 -53.4 -44.18 68.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.66 -1.275 . . . . 0.0 108.058 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -59.15 -44.59 92.11 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.34 -21.18 1.3 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.385 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.16 -49.62 16.77 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 118.976 -1.09 . . . . 0.0 108.286 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.419 ' O ' ' OG1' ' B' ' 81' ' ' THR . 98.5 t -56.01 -40.46 63.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.422 -0.799 . . . . 0.0 109.45 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.511 ' OG ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -68.94 -24.79 64.31 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttt -73.24 -30.9 63.79 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' SD ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -86.56 -33.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 14.3 m -65.44 -40.26 93.07 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' B' ' 78' ' ' SER . 17.7 p -58.78 -42.6 89.39 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.67 82.71 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.752 -1.218 . . . . 0.0 108.063 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.12 -16.51 60.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.896 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.48 -34.74 10.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.377 -0.827 . . . . 0.0 108.931 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -76.45 -36.18 58.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.334 -0.854 . . . . 0.0 109.49 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -65.67 -52.75 49.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.342 -0.849 . . . . 0.0 109.564 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -61.31 -50.48 72.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.11 26.42 0.62 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.58 100.51 1.13 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.073 -1.017 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.178 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.22 -19.78 63.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.532 -0.73 . . . . 0.0 109.552 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.16 -27.62 63.68 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 24.1 mmtt -71.54 -48.3 49.5 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.22 25.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.463 0.649 . . . . 0.0 110.077 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.4 mtt -50.89 -39.19 53.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.283 -0.886 . . . . 0.0 109.78 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.02 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 8.9 mp -80.73 -49.08 11.63 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.884 -1.135 . . . . 0.0 110.921 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.74 -28.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.71 -1.244 . . . . 0.0 109.502 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.34 -49.54 12.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 0.0 109.38 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.03 -27.11 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.918 . . . . 0.0 109.195 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -73.15 -47.9 40.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.297 -0.877 . . . . 0.0 109.128 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -73.76 -35.37 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 110.628 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.07 -37.3 87.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.859 -1.151 . . . . 0.0 109.705 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -90.89 -58.9 2.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.051 -1.031 . . . . 0.0 109.195 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 38.3 p -54.64 -30.58 55.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.963 -1.086 . . . . 0.0 108.449 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.31 -1.0 67.02 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.61 -41.22 89.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.805 -1.409 . . . . 0.0 108.261 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.83 169.44 22.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.675 -0.64 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.75 -168.04 27.43 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.78 -68.22 0.19 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.227 -1.16 . . . . 0.0 109.087 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.728 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 7.2 mmtt -179.59 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.387 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.728 ' CD2' ' O ' ' A' ' 24' ' ' LYS . 12.2 m80 -153.93 47.79 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.182 . . . . 0.0 111.014 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -131.27 144.92 51.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -93.69 125.99 38.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.077 -1.014 . . . . 0.0 110.692 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -106.58 152.68 23.4 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.9 ttpm? -46.88 -47.23 21.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.698 -1.251 . . . . 0.0 110.311 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.6 m -49.01 -10.79 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.096 -1.002 . . . . 0.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.06 -45.17 5.48 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -55.41 35.2 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.147 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -63.07 -39.83 95.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.776 -1.203 . . . . 0.0 109.136 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 51.4 tp10 -74.66 -31.04 61.81 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.956 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.8 tp -76.8 -31.69 57.14 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.31 -39.24 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 108.76 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -81.91 -23.92 35.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.869 -179.641 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 22.9 m-20 -99.74 -42.18 6.96 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.118 -0.989 . . . . 0.0 111.989 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -100.16 -69.95 0.75 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.808 -1.183 . . . . 0.0 110.621 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.81 0.17 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.55 -18.01 29.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.878 -1.139 . . . . 0.0 109.802 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.05 -28.1 21.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.082 -1.011 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.02 -40.6 5.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.54 -0.725 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 80' ' ' VAL . 7.0 tp -102.67 128.18 49.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -55.07 140.28 38.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.677 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.1 pm0 -71.1 104.73 3.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.26 -0.9 . . . . 0.0 109.07 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.0 135.19 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.98 -1.075 . . . . 0.0 109.755 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 1.1 mppt? -97.21 -13.93 21.74 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 51' ' ' GLU . 85.9 mt-10 -123.91 123.85 41.33 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.596 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.8 mp0 -53.87 -12.23 0.53 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.131 -0.981 . . . . 0.0 108.45 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 49' ' ' GLU . 42.3 tt0 -38.34 -51.6 1.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.709 -0.619 . . . . 0.0 112.283 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -67.9 -35.7 73.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.502 -1.374 . . . . 0.0 107.56 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -67.49 -23.96 30.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 178.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLN . 29.7 t0 -78.1 -34.57 50.04 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.79 -42.76 19.27 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -55.07 -44.16 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.791 -1.193 . . . . 0.0 108.282 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.9 mtt -60.25 -33.34 72.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.479 -0.763 . . . . 0.0 109.464 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.54 -27.86 67.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.959 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.8 m -92.62 -27.04 17.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.41 -0.806 . . . . 0.0 109.554 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -100.84 -45.71 5.37 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 34.8 t0 -55.33 111.28 0.84 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.384 -1.448 . . . . 0.0 109.671 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -89.65 -45.45 9.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 p30 -79.56 -3.05 45.18 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.45 43.27 98.93 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 107.661 -2.176 . . . . 0.0 107.661 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 50.2 p30 -92.08 -5.79 52.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.511 -0.993 . . . . 0.0 110.331 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.14 0.05 60.18 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.0 mt-10 -126.47 171.26 11.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' ASP . 23.4 m -127.47 94.27 3.94 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.145 -0.972 . . . . 0.0 110.652 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 68' ' ' CYS . 14.5 p30 -53.0 -169.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.2 p90 -78.07 -29.74 49.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.645 -1.284 . . . . 0.0 111.048 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.56 -42.55 78.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.985 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -32.03 16.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.754 -1.216 . . . . 0.0 109.353 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.67 -44.84 70.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.611 -1.305 . . . . 0.0 108.154 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -61.85 -45.16 94.98 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 177.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.93 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.6 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.15 -50.84 29.12 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 118.626 -1.23 . . . . 0.0 108.116 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.3 t -56.64 -34.17 41.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.263 -0.898 . . . . 0.0 108.751 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 82' ' ' THR . 0.7 OUTLIER -65.51 -33.82 76.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.431 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 9.1 ttp -75.05 -25.82 58.96 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 44' ' ' LEU . 93.1 t -86.68 -35.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.9 m -73.65 -33.78 64.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 78' ' ' SER . 17.1 p -68.9 -36.18 77.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.683 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.68 82.94 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.673 -1.267 . . . . 0.0 109.029 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.48 -3.34 46.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -103.25 -37.69 7.57 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.328 -0.858 . . . . 0.0 109.385 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.78 -26.2 34.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 109.234 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.55 -57.21 11.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 0.0 109.28 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 t80 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.237 -0.915 . . . . 0.0 109.384 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.19 -19.79 63.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.534 -0.729 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -71.22 -27.56 63.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -71.54 -48.37 49.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.4 -55.19 26.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.503 0.668 . . . . 0.0 110.176 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -50.66 -39.41 50.7 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.389 -0.82 . . . . 0.0 109.791 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.18 20.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.025 -1.047 . . . . 0.0 109.346 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.09 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.251 -0.906 . . . . 0.0 109.719 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.549 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 8.9 mp -80.72 -49.04 11.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.842 -1.161 . . . . 0.0 110.899 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' B' ' 10' ' ' LEU . 58.2 mt -45.74 -28.47 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.695 -1.253 . . . . 0.0 109.538 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.54 -49.46 12.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 109.275 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -77.11 -27.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.317 -0.864 . . . . 0.0 109.193 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.2 -47.86 40.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -73.86 -35.31 64.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 110.569 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.11 -37.32 87.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.827 -1.17 . . . . 0.0 109.74 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -90.86 -58.76 2.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.974 -1.079 . . . . 0.0 109.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.8 p -54.88 -30.29 57.72 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.005 -1.059 . . . . 0.0 108.483 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.46 -1.07 66.65 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -59.56 -41.29 89.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.848 -1.383 . . . . 0.0 108.286 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.62 169.76 21.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.606 -0.684 . . . . 0.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.48 -167.99 27.75 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -50.96 -68.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.202 -1.176 . . . . 0.0 109.025 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.718 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 7.2 mmtt -179.63 -7.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 109.36 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.718 ' CD2' ' O ' ' B' ' 24' ' ' LYS . 12.4 m80 -153.9 47.73 0.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.801 -1.187 . . . . 0.0 111.074 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -131.29 144.92 51.63 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -93.58 125.86 38.43 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.14 -0.975 . . . . 0.0 110.732 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -106.48 152.91 23.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 2.8 ttpm? -47.03 -47.29 22.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.611 -1.306 . . . . 0.0 110.254 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.9 m -48.92 -10.8 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.063 -1.023 . . . . 0.0 110.88 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -101.0 -45.33 5.44 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -55.22 37.69 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.115 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -63.25 -39.76 95.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.784 -1.197 . . . . 0.0 109.132 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.4 tp10 -74.74 -31.11 61.73 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.896 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.7 tp -76.67 -31.81 57.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.29 -39.21 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.302 -0.874 . . . . 0.0 108.81 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.6 OUTLIER -81.88 -23.85 36.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.483 -0.761 . . . . 0.0 110.902 -179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 23.6 m-20 -99.88 -42.14 6.93 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.123 -0.986 . . . . 0.0 111.938 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -100.16 -69.98 0.75 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.793 -1.192 . . . . 0.0 110.596 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 0.0 109.549 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.62 -18.06 28.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 109.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -88.0 -28.03 21.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.93 -40.87 5.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.577 -0.702 . . . . 0.0 109.372 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' B' ' 80' ' ' VAL . 6.9 tp -102.51 128.21 49.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.399 -0.813 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -55.11 140.33 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.1 pm0 -70.98 104.53 3.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.83 135.1 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 1.1 mppt? -97.17 -13.99 21.75 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' B' ' 51' ' ' GLU . 85.1 mt-10 -123.93 123.87 41.36 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.606 ' H ' ' CD ' ' B' ' 50' ' ' GLN . 1.8 mp0 -53.82 -12.23 0.51 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.121 -0.987 . . . . 0.0 108.472 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.459 ' N ' ' C ' ' B' ' 49' ' ' GLU . 41.4 tt0 -38.34 -51.57 1.52 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.728 -0.608 . . . . 0.0 112.29 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.429 HG23 ' H ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -67.91 -35.76 73.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 118.287 -1.365 . . . . 0.0 107.585 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.6 OUTLIER -67.45 -24.01 30.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.5 t0 -78.07 -34.57 50.26 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.76 -42.9 19.12 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -54.88 -44.22 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.87 -1.144 . . . . 0.0 108.395 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.445 ' O ' ' N ' ' B' ' 61' ' ' ASP . 20.2 mtt -60.23 -33.53 72.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 0.0 109.396 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.37 -27.99 67.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.114 -0.991 . . . . 0.0 109.009 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -92.4 -26.92 17.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 109.57 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.92 -45.78 5.32 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.304 -0.872 . . . . 0.0 110.804 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 34.6 t0 -55.27 111.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.398 -1.439 . . . . 0.0 109.788 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -89.52 -45.43 9.41 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 5.3 p30 -79.62 -3.03 45.29 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.3 43.51 98.48 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.524 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 51.5 p30 -92.23 -5.82 51.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.517 -0.99 . . . . 0.0 110.289 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 75.01 0.27 60.08 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.6 mt-10 -126.51 171.39 11.11 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' B' ' 69' ' ' ASP . 23.2 m -127.57 94.28 3.93 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.147 -0.97 . . . . 0.0 110.666 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 68' ' ' CYS . 14.8 p30 -53.07 -170.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.694 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.2 p90 -77.9 -29.75 50.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 111.067 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -68.54 -42.61 78.18 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.129 -0.982 . . . . 0.0 110.94 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.18 -31.87 16.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.694 -1.254 . . . . 0.0 109.361 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -53.82 -44.71 70.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.575 -1.328 . . . . 0.0 108.072 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -61.92 -45.32 94.23 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.2 -21.97 3.88 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.592 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -71.08 -50.84 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.68 -1.208 . . . . 0.0 108.111 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.2 t -56.67 -34.17 41.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 108.762 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.621 0.724 . . . . 0.0 109.086 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.5 ttp -75.09 -25.68 58.74 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' B' ' 44' ' ' LEU . 93.2 t -86.67 -35.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.48 ' N ' ' O ' ' B' ' 77' ' ' VAL . 15.3 m -73.76 -33.73 64.41 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 17.8 p -68.85 -36.35 78.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 110.798 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.66 83.49 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.685 -1.259 . . . . 0.0 109.005 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 16.0 p -79.72 -3.26 46.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.264 -0.898 . . . . 0.0 109.515 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -103.19 -37.83 7.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.362 -0.836 . . . . 0.0 109.371 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.73 -26.33 34.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.25 -57.37 11.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 0.0 109.366 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.46 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.4 0.619 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.937 HD13 HD21 ' B' ' 40' ' ' LEU . 2.5 mt -72.67 -22.41 60.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 tp10 -76.38 -34.19 58.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.679 -1.263 . . . . 0.0 108.98 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -68.87 -46.38 68.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.987 . . . . 0.0 108.638 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -56.84 -54.53 45.42 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 14.7 mtt -49.42 -40.61 37.09 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.568 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.64 -49.55 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.0 109.415 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.213 -0.929 . . . . 0.0 109.18 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -79.79 -53.72 6.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 0.0 110.378 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.1 mt -46.07 -33.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.218 -0.926 . . . . 0.0 109.55 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.48 -50.46 31.35 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -75.81 -26.27 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.19 -0.944 . . . . 0.0 109.117 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.2 m-85 -69.2 -53.5 19.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.24 -26.03 59.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 110.76 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.09 -40.22 82.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.562 -1.336 . . . . 0.0 110.072 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.545 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 12.7 m-85 -90.72 -54.59 3.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 109.066 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -56.62 -22.21 32.54 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.84 -1.99 59.78 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 46.3 ttt180 -61.68 -44.3 97.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.873 -1.369 . . . . 0.0 108.399 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.95 169.67 22.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.527 -0.733 . . . . 0.0 109.667 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.4 -167.98 18.31 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -49.51 -58.29 5.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.968 . . . . 0.0 109.265 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -179.66 -42.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -133.29 58.18 1.78 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.458 -0.776 . . . . 0.0 110.496 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 18' ' ' SER . 9.0 tppt? -131.14 143.98 51.03 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.53 130.1 41.07 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.053 -1.029 . . . . 0.0 110.574 -178.653 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 66.9 mttt -107.87 153.84 22.44 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.7 ttpp -45.5 -46.96 14.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.961 -1.087 . . . . 0.0 109.321 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -48.85 -11.6 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.331 -0.856 . . . . 0.0 109.467 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' LEU . 36.1 mt-10 -97.26 -37.05 10.22 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 109.347 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -59.64 4.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.809 -1.182 . . . . 0.0 108.335 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -56.75 -36.91 70.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 85.8 mt-10 -82.35 -37.07 26.21 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.104 -0.998 . . . . 0.0 110.136 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.6 tp -71.99 -29.72 64.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.147 -0.971 . . . . 0.0 109.26 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -78.13 -41.08 26.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.629 -0.669 . . . . 0.0 110.458 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -81.84 -27.21 33.68 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.156 -0.965 . . . . 0.0 112.209 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.545 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 1.6 p-10 -90.08 -43.17 10.67 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.575 -1.328 . . . . 0.0 111.79 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 32.9 mm-40 -102.39 -61.1 1.44 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.984 -1.072 . . . . 0.0 110.473 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.932 HD21 HD13 ' B' ' 3' ' ' LEU . 3.2 mt -78.11 34.96 0.2 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -17.94 33.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.031 . . . . 0.0 110.084 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.23 -18.46 18.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.945 -1.097 . . . . 0.0 109.737 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CZ ' ' CD ' ' B' ' 4' ' ' GLU . 49.7 m-85 -113.07 -37.36 4.8 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.406 -0.809 . . . . 0.0 109.546 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -110.22 130.23 55.58 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -52.17 135.21 32.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.94 103.14 3.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.845 . . . . 0.0 108.971 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 pt -63.25 140.31 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.057 -1.027 . . . . 0.0 109.895 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -108.41 -18.11 13.83 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.97 148.23 35.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' ASP . 70.7 mt-30 -83.92 -19.98 33.79 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.213 -0.93 . . . . 0.0 109.23 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -41.06 -46.01 2.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -0.857 . . . . 0.0 111.971 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.01 -37.26 53.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.585 -1.322 . . . . 0.0 107.965 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -24.24 34.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 30.5 t0 -77.33 -33.15 55.57 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -80.08 -49.27 12.0 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -50.62 -44.06 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.781 -1.199 . . . . 0.0 108.614 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.5 mtt -57.95 -37.86 74.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.391 -0.818 . . . . 0.0 109.035 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.47 -35.03 73.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 m -87.02 -33.8 19.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -92.52 -47.92 6.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.01 -1.056 . . . . 0.0 110.429 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 4.7 t0 -55.04 108.86 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.261 -1.524 . . . . 0.0 108.631 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -84.42 -50.15 8.03 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.74 -1.19 23.77 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 53.55 46.18 66.13 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 40.2 p-10 -93.94 -5.55 47.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.577 -0.955 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.49 -0.56 89.25 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 17.6 mp0 -131.18 162.64 29.48 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 34.5 m -116.76 99.26 7.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.352 -0.843 . . . . 0.0 111.389 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 33.5 t0 -51.76 -176.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.7 OUTLIER -73.95 -29.14 61.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.515 -1.366 . . . . 0.0 111.314 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.0 -39.7 65.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.865 -1.147 . . . . 0.0 111.857 -177.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 4.7 pt-20 -89.18 -32.92 17.23 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.19 -1.569 . . . . 0.0 108.229 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' HD22 ' A' ' 27' ' ' LEU . 1.5 t80 -53.07 -46.62 68.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.069 -1.02 . . . . 0.0 108.34 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.448 ' HE2' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -59.95 -43.86 94.74 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.257 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.85 -20.57 2.31 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.159 -1.016 . . . . 0.0 109.368 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 80' ' ' VAL . 25.7 t80 -72.01 -52.2 18.17 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.39 -36.23 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 82' ' ' THR . 8.5 t -65.21 -31.18 72.21 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.958 0.885 . . . . 0.0 108.858 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.17 -31.78 61.09 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.562 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.14 -31.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.648 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -36.75 67.71 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 78' ' ' SER . 7.8 p -66.31 -39.45 89.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.187 -0.945 . . . . 0.0 110.478 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.17 95.71 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.68 -1.262 . . . . 0.0 108.745 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.16 -23.77 67.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.49 -34.39 12.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.435 -0.791 . . . . 0.0 108.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 82' ' ' THR . 36.2 tt0 -75.12 -48.38 24.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.512 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -51.87 -45.2 64.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.399 -0.813 . . . . 0.0 109.858 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.932 HD13 HD21 ' A' ' 40' ' ' LEU . 2.6 mt -72.41 -22.64 61.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -0.963 . . . . 0.0 109.981 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.476 ' CD ' ' CZ ' ' A' ' 43' ' ' PHE . 30.3 tp10 -76.18 -34.35 59.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.786 -1.197 . . . . 0.0 109.042 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -69.01 -46.21 68.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 108.589 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.467 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -57.02 -54.52 45.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 14.3 mtt -49.27 -40.67 35.22 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.382 -0.823 . . . . 0.0 109.61 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.46 -49.61 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.21 69.18 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.302 -0.874 . . . . 0.0 109.195 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 6' ' ' ALA . 0.9 OUTLIER -79.8 -53.87 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 110.407 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.98 -33.29 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.39 -50.64 30.02 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.394 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.6 -26.33 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.319 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.2 m-85 -69.08 -53.4 20.51 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.985 -1.072 . . . . 0.0 110.556 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -26.12 60.1 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.717 -1.239 . . . . 0.0 110.755 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.12 -40.23 82.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.557 -1.339 . . . . 0.0 110.109 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.535 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 12.8 m-85 -90.72 -54.86 3.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.941 -1.099 . . . . 0.0 109.042 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.9 OUTLIER -56.43 -22.17 30.09 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.74 -2.13 59.9 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 44.7 ttt180 -61.77 -44.2 97.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.853 -1.381 . . . . 0.0 108.487 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.95 169.77 21.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.606 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.15 -167.99 18.61 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.48 -58.21 5.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.578 -0.954 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -179.74 -42.85 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -133.3 58.3 1.77 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.396 -0.815 . . . . 0.0 110.451 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.428 ' N ' ' OG ' ' B' ' 18' ' ' SER . 9.1 tppt? -131.35 143.95 50.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -94.67 130.29 41.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.15 -0.969 . . . . 0.0 110.565 -178.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.504 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 67.9 mttt -108.0 153.86 22.48 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.2 ttpp -45.54 -46.85 14.3 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.994 -1.066 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -49.07 -11.29 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.478 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 29' ' ' LYS . 36.0 mt-10 -97.48 -37.06 10.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.37 -0.831 . . . . 0.0 109.335 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -62.89 -59.89 4.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.852 -1.155 . . . . 0.0 108.277 178.423 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -56.53 -37.0 69.88 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.485 -0.759 . . . . 0.0 109.995 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 86.5 mt-10 -82.43 -36.91 26.19 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.117 -0.989 . . . . 0.0 110.18 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 31' ' ' GLU . 63.9 tp -71.92 -30.12 65.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.98 -40.99 27.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.653 -0.654 . . . . 0.0 110.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -81.9 -27.03 33.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.122 -0.986 . . . . 0.0 112.1 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 1.6 p-10 -90.26 -43.25 10.51 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.628 -1.295 . . . . 0.0 111.836 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 33.1 mm-40 -102.3 -60.88 1.47 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.997 -1.064 . . . . 0.0 110.504 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.937 HD21 HD13 ' A' ' 3' ' ' LEU . 3.1 mt -78.25 34.97 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.108 -0.995 . . . . 0.0 109.587 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.938 -1.102 . . . . 0.0 110.135 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.33 -18.26 18.43 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.992 -1.067 . . . . 0.0 109.874 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 4' ' ' GLU . 49.5 m-85 -113.3 -37.62 4.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.527 -0.733 . . . . 0.0 109.441 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 40' ' ' LEU . 15.3 tp -109.8 130.25 55.54 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -52.22 135.23 32.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.023 -1.048 . . . . 0.0 109.669 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.02 103.14 3.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.905 . . . . 0.0 108.924 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 pt -63.18 140.45 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.105 -0.997 . . . . 0.0 109.875 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -108.64 -18.08 13.81 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.06 148.36 35.36 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' B' ' 54' ' ' ASP . 73.2 mt-30 -83.87 -20.19 33.53 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -40.93 -46.02 2.69 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.466 -0.771 . . . . 0.0 111.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.1 m -73.14 -37.08 51.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.521 -1.362 . . . . 0.0 107.873 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.404 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -65.62 -24.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.6 t0 -77.15 -33.45 56.64 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -79.66 -49.33 12.29 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -50.71 -44.01 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.814 -1.179 . . . . 0.0 108.666 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 19.8 mtt -57.94 -37.7 74.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.798 . . . . 0.0 109.083 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.48 -34.94 73.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.412 -0.805 . . . . 0.0 109.344 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 27.8 m -87.24 -33.65 19.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.839 . . . . 0.0 110.036 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.69 -48.0 6.8 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.086 -1.009 . . . . 0.0 110.463 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 4.7 t0 -54.98 108.74 0.43 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.259 -1.526 . . . . 0.0 108.662 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -84.36 -50.29 7.95 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.69 -1.29 24.13 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 53.72 46.16 67.58 Favored Glycine 0 N--CA 1.485 1.967 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 40.3 p-10 -94.01 -5.65 47.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.459 -1.024 . . . . 0.0 109.412 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.7 -0.63 89.18 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.4 mp0 -131.11 162.51 29.71 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 34.2 m -116.67 99.62 7.26 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.388 -0.82 . . . . 0.0 111.3 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 34.0 t0 -52.01 -176.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.657 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.99 -29.42 61.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.461 -1.399 . . . . 0.0 111.306 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.494 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -72.62 -39.74 67.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.794 -1.191 . . . . 0.0 111.951 -177.629 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.6 pt-20 -89.14 -33.02 17.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.262 -1.524 . . . . 0.0 108.282 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' B' ' 27' ' ' LEU . 1.5 t80 -53.15 -46.66 68.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 108.285 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.443 ' HE2' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -59.77 -44.09 94.04 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 178.19 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.63 -20.61 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.363 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.407 ' O ' HG13 ' B' ' 80' ' ' VAL . 25.4 t80 -72.08 -52.27 17.64 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -53.23 -36.24 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 122.019 0.914 . . . . 0.0 108.638 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.655 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -65.08 -31.32 72.47 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.883 0.849 . . . . 0.0 108.83 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.15 -31.69 61.11 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.755 -0.591 . . . . 0.0 109.564 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.407 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.1 -32.16 6.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.664 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -72.75 -36.94 67.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 78' ' ' SER . 7.4 p -66.08 -39.65 90.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 110.431 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.3 96.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.776 -1.203 . . . . 0.0 108.73 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.12 -23.56 67.17 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.523 -0.871 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -94.57 -34.47 12.64 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 82' ' ' THR . 36.6 tt0 -75.13 -48.3 24.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.558 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -51.96 -45.0 64.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.041 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.363 -0.836 . . . . 0.0 109.859 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 44.3 mt-10 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.744 HD13 HD21 ' B' ' 40' ' ' LEU . 1.5 mt -73.38 -25.77 60.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -75.28 -31.61 60.78 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.53 -1.356 . . . . 0.0 109.557 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -63.85 -43.08 97.22 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.19 -0.944 . . . . 0.0 108.588 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.91 64.08 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 109.811 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.8 mtt -52.26 -43.3 64.31 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.32 -49.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.265 -0.897 . . . . 0.0 109.736 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' B' ' 2' ' ' GLU . . . -58.13 -30.71 66.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.52 -0.737 . . . . 0.0 109.224 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.34 -52.59 7.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.09 -1.006 . . . . 0.0 110.287 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mt -45.74 -30.54 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.145 -0.972 . . . . 0.0 109.538 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 99.2 m-20 -76.14 -49.08 18.3 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.66 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -78.91 -26.8 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.149 -0.969 . . . . 0.0 109.031 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.98 -53.72 13.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -71.21 -31.53 67.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 0.0 110.743 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 37.3 mm-40 -67.94 -36.97 81.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.839 -1.163 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -93.92 -56.96 2.69 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.009 . . . . 0.0 109.305 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -52.95 -23.36 7.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.659 -1.275 . . . . 0.0 108.253 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.82 -3.16 55.08 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 34' ' ' GLU . 44.6 ttt85 -55.2 -37.59 67.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.514 . . . . 0.0 108.587 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -170.38 172.98 5.85 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.471 -0.768 . . . . 0.0 109.745 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.37 -177.33 26.0 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -51.28 -58.75 5.36 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.188 -1.183 . . . . 0.0 108.535 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.518 ' HD2' ' CE1' ' A' ' 25' ' ' HIS . 5.9 mmtt 169.13 144.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.518 ' CE1' ' HD2' ' A' ' 24' ' ' LYS . 2.2 m80 41.53 46.94 3.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.558 -0.714 . . . . 0.0 111.984 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -138.47 147.44 43.23 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.559 -1.338 . . . . 0.0 107.542 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -97.79 125.13 42.46 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.251 -0.906 . . . . 0.0 112.169 -177.085 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -110.27 159.55 17.31 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -51.04 -41.1 59.64 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.799 -1.188 . . . . 0.0 109.681 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -54.88 -18.48 4.96 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 109.635 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' HB2' HD13 ' A' ' 27' ' ' LEU . 72.5 mt-10 -102.69 -34.42 9.06 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -49.37 56.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.378 -0.826 . . . . 0.0 109.085 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.31 -36.94 74.62 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 50.4 tt0 -76.94 -32.22 57.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.833 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 49.8 tp -73.76 -33.63 64.36 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.922 -1.111 . . . . 0.0 108.708 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.14 -37.71 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.041 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.55 -22.52 47.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.971 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -91.86 -43.89 9.24 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.978 -1.076 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.8 mm-40 -110.28 -61.58 1.64 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.87 -1.144 . . . . 0.0 110.818 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.779 HD21 HD13 ' B' ' 3' ' ' LEU . 3.9 mt -75.11 31.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.9 -1.125 . . . . 0.0 110.258 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' GLU . 23.8 t -85.26 -19.47 31.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.964 -1.085 . . . . 0.0 108.595 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.09 -21.13 21.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.305 -0.872 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -108.97 -32.99 7.04 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.55 129.18 56.61 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.96 140.94 18.96 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.907 -1.12 . . . . 0.0 109.759 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.89 103.54 0.46 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.904 -1.122 . . . . 0.0 109.357 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.85 132.94 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 109.707 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -105.62 -12.97 15.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.54 122.48 38.3 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' VAL . 22.0 pt20 -60.2 -17.08 38.83 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.308 -0.87 . . . . 0.0 109.85 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.97 -40.18 4.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.061 . . . . 0.0 111.278 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.5 p -75.25 -37.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -64.34 -25.16 37.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.45 -34.11 54.58 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -74.33 -55.22 6.26 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -52.08 -43.27 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ASP . 20.2 mmm -62.35 -27.81 69.32 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.55 -38.51 84.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.27 -26.94 38.71 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.823 -0.548 . . . . 0.0 109.92 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.53 -44.19 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.297 -0.877 . . . . 0.0 110.678 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' MET . 53.7 t0 -55.41 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.408 -1.432 . . . . 0.0 109.105 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.21 -38.43 13.47 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.1 p30 -76.01 -4.91 43.79 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.14 45.8 93.52 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -105.0 -4.48 21.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.63 -0.924 . . . . 0.0 110.182 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.16 -3.76 56.91 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -120.88 166.57 13.61 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 69' ' ' ASP . 11.5 m -126.96 92.07 3.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.385 -0.822 . . . . 0.0 110.145 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -53.05 -175.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.65 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -69.63 -28.75 66.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.11 -0.994 . . . . 0.0 110.542 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -68.33 -45.22 73.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 111.701 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.65 -32.56 16.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.379 -1.451 . . . . 0.0 108.775 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -51.77 -45.06 63.63 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.835 -1.165 . . . . 0.0 108.822 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.21 -41.46 90.13 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.07 5.24 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.159 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.27 -52.14 30.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.56 -31.89 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.498 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.661 ' O ' HG23 ' A' ' 82' ' ' THR . 7.4 p -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.791 -1.193 . . . . 0.0 107.836 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.58 -31.63 57.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.686 -0.633 . . . . 0.0 109.5 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.76 -32.03 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -68.84 -38.21 79.67 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 78' ' ' SER . 4.9 p -61.43 -37.49 83.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.57 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.43 70.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.688 -1.257 . . . . 0.0 107.95 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.5 t -53.47 -37.78 62.99 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -73.76 -28.76 61.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -75.08 -49.23 20.35 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.565 -0.71 . . . . 0.0 109.545 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -53.64 -52.31 60.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.109 -0.994 . . . . 0.0 108.991 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 120.997 -1.064 . . . . 0.0 109.249 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.483 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 48.2 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.516 0.674 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 40' ' ' LEU . 1.4 mt -73.19 -25.76 60.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 110.253 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -75.58 -31.54 60.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.595 -1.316 . . . . 0.0 109.612 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -63.92 -43.17 96.72 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.12 67.51 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.044 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.7 mtt -53.2 -42.55 66.39 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.321 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.08 -49.01 46.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.126 -0.984 . . . . 0.0 109.783 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 2' ' ' GLU . . . -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.109 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.55 -52.66 7.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.963 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.9 mt -45.6 -31.03 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.166 -0.959 . . . . 0.0 109.538 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 99.5 m-20 -75.76 -49.09 19.18 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.703 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -79.26 -26.43 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.089 -1.007 . . . . 0.0 109.043 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.87 -54.86 9.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 109.235 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -70.46 -31.59 68.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.736 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' B' ' 12' ' ' ASP . 36.1 mm-40 -68.05 -36.85 80.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.842 -1.161 . . . . 0.0 109.996 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.92 -56.74 2.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.035 -1.041 . . . . 0.0 109.217 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.8 m -53.14 -23.23 7.72 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.735 -1.228 . . . . 0.0 108.33 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.77 -3.48 54.99 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -55.05 -37.38 66.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.624 -1.515 . . . . 0.0 108.497 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -170.91 172.81 5.41 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.96 -177.29 25.26 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 36.3 t0 -51.6 -58.19 7.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.151 -1.205 . . . . 0.0 108.575 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' B' ' 25' ' ' HIS . 5.4 mmtt 168.65 144.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.508 ' CE1' ' HD2' ' B' ' 24' ' ' LYS . 2.3 m80 41.72 47.08 3.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.631 -0.668 . . . . 0.0 111.868 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -138.79 147.55 42.7 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -98.25 124.79 43.05 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.228 -0.92 . . . . 0.0 112.221 -176.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -109.95 159.7 17.03 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.98 -41.05 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.874 -1.141 . . . . 0.0 109.76 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -55.3 -18.15 5.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.264 -0.897 . . . . 0.0 109.642 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' B' ' 27' ' ' LEU . 71.3 mt-10 -102.67 -34.94 8.87 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -49.73 55.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 109.294 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -69.77 -37.17 76.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.97 -32.22 57.11 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.856 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 50.8 tp -73.51 -33.93 65.02 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.002 -1.061 . . . . 0.0 108.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.85 -38.11 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.426 -0.797 . . . . 0.0 108.997 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -78.22 -22.57 48.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.953 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.16 -43.63 9.24 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.906 -1.121 . . . . 0.0 111.975 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' B' ' 41' ' ' SER . 37.4 mm-40 -110.87 -61.41 1.69 Allowed 'General case' 0 N--CA 1.506 2.365 0 O-C-N 120.83 -1.169 . . . . 0.0 110.722 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 3' ' ' LEU . 3.4 mt -74.6 31.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.911 -1.118 . . . . 0.0 110.201 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' B' ' 39' ' ' GLU . 20.7 t -85.35 -19.41 31.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.694 -1.253 . . . . 0.0 108.658 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.02 -21.32 21.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 109.446 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -108.82 -32.05 7.45 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.19 128.68 56.48 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.07 141.27 18.66 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.983 -1.073 . . . . 0.0 109.677 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.96 103.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 109.478 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 47' ' ' ILE . 6.0 pt -65.88 132.42 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.998 -1.064 . . . . 0.0 109.782 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -105.05 -12.71 16.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -123.81 121.94 36.72 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.4 pt20 -59.47 -17.56 32.36 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.285 -0.885 . . . . 0.0 109.982 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -43.54 -40.18 3.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.101 -0.999 . . . . 0.0 111.322 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.433 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.4 p -75.44 -37.4 37.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.461 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -64.03 -25.4 38.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 106.087 -1.819 . . . . 0.0 106.087 178.391 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.07 -33.69 57.11 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -74.68 -55.28 6.05 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -51.72 -44.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 22.5 mmm -61.87 -27.82 69.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.77 -38.4 83.37 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.39 -27.22 38.19 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.759 -0.588 . . . . 0.0 110.018 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.4 mm? -97.86 -44.11 6.84 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.254 -0.904 . . . . 0.0 110.699 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' B' ' 57' ' ' MET . 53.9 t0 -55.6 99.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.334 -1.479 . . . . 0.0 109.109 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.33 -38.7 13.18 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.2 p30 -75.86 -5.12 44.49 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.62 45.39 94.73 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -104.61 -4.22 22.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.761 -0.847 . . . . 0.0 110.054 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.51 -2.66 57.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -121.24 166.14 14.43 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' B' ' 69' ' ' ASP . 9.9 m -127.35 92.09 3.44 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.273 -0.892 . . . . 0.0 110.155 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -53.0 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -69.7 -29.02 66.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.084 -1.01 . . . . 0.0 110.406 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.8 -45.21 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.999 -1.063 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.9 -32.55 15.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.387 -1.446 . . . . 0.0 108.957 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -51.89 -44.75 63.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.861 -1.15 . . . . 0.0 108.667 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 4.4 ttt -66.19 -41.62 89.98 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.56 -23.14 5.81 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.024 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -68.98 -52.22 31.25 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.38 -32.01 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.472 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 10.8 p -64.45 -30.85 71.88 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.681 -1.262 . . . . 0.0 107.805 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.13 -31.65 58.72 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.655 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.42 -32.9 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -68.19 -38.07 81.59 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.713 HG23 ' O ' ' B' ' 78' ' ' SER . 7.2 p -61.96 -37.47 84.86 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.33 70.27 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.496 -1.377 . . . . 0.0 107.89 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 25.8 t -53.21 -37.68 62.23 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -73.86 -28.74 61.73 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -74.83 -49.43 20.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.631 -0.668 . . . . 0.0 109.382 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -53.42 -52.32 59.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.285 -0.885 . . . . 0.0 109.12 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.5 t80 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.05 -1.031 . . . . 0.0 109.143 179.771 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -84.97 -26.97 26.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.389 -0.82 . . . . 0.0 110.117 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.3 -25.03 46.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.12 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -74.88 -50.54 16.6 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -54.42 46.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.496 -0.752 . . . . 0.0 110.209 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 8.1 mtm -54.67 -36.85 65.05 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.334 -0.854 . . . . 0.0 109.936 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.48 -47.5 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.891 -1.131 . . . . 0.0 108.724 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.14 -36.64 65.99 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.72 -0.612 . . . . 0.0 109.91 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.6 mp -79.91 -49.02 12.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.934 -1.104 . . . . 0.0 111.146 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . 53.3 mt -44.4 -29.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.719 -1.238 . . . . 0.0 109.731 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -79.16 -50.59 10.75 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.116 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -74.33 -27.07 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 109.208 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -73.22 -43.57 61.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.688 -0.632 . . . . 0.0 109.75 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 3.1 t-160 -78.12 -32.93 50.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.812 -1.18 . . . . 0.0 110.659 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -67.8 -37.61 82.23 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.951 -1.093 . . . . 0.0 110.741 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -86.47 -54.66 4.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.81 -1.181 . . . . 0.0 108.595 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 p -55.52 -21.84 18.64 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 1.78 57.74 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -66.95 -47.03 72.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.921 -1.341 . . . . 0.0 109.26 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.99 151.26 29.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.411 -0.806 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 100.16 -160.06 19.33 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 6.2 t70 -49.52 -93.81 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.448 -1.031 . . . . 0.0 109.115 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 16.6 tptm -171.95 -8.95 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.377 -0.827 . . . . 0.0 109.809 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 12.4 m-70 -142.92 35.02 1.38 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.657 -1.277 . . . . 0.0 111.25 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.28 47.11 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 73' ' ' PHE . 3.8 mp -95.01 138.51 32.64 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.396 1.093 . . . . 0.0 110.511 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.4 mttm -108.84 156.59 19.48 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.526 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 31' ' ' GLU . 47.2 mtmt -44.83 -49.27 10.89 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.997 -1.064 . . . . 0.0 109.204 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -49.8 -15.76 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 0.0 109.051 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 29' ' ' LYS . 39.0 mt-10 -101.63 -47.57 4.59 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.322 -0.861 . . . . 0.0 109.513 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.98 -36.64 84.2 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.325 -0.859 . . . . 0.0 110.077 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.71 -36.72 25.59 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.636 -1.29 . . . . 0.0 108.164 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -77.15 -30.8 55.21 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.021 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.9 tp -72.02 -30.23 64.98 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 47' ' ' ILE . 75.1 mt -76.31 -39.15 34.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.249 -0.907 . . . . 0.0 109.418 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -82.69 -24.22 33.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 110.489 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.57 -44.17 7.62 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.908 -1.12 . . . . 0.0 111.168 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 1.5 mp0 -99.35 -69.53 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.104 -0.997 . . . . 0.0 110.054 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -73.91 38.92 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.041 -1.037 . . . . 0.0 109.325 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -92.91 -19.44 21.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.741 -1.224 . . . . 0.0 110.146 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.77 -20.32 21.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.888 -1.132 . . . . 0.0 108.938 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.6 -39.97 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 80' ' ' VAL . 6.6 tp -101.97 138.18 39.28 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' ILE . 34.8 mt-10 -48.17 132.93 15.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.51 84.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.83 . . . . 0.0 109.886 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -56.25 123.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.951 -1.093 . . . . 0.0 108.59 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -115.07 -16.41 11.62 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -99.68 151.98 20.6 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -93.21 -29.04 15.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.116 -0.99 . . . . 0.0 109.781 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -48.35 -30.92 5.41 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.221 -0.924 . . . . 0.0 110.052 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 53' ' ' VAL . 13.8 p -75.6 -37.98 37.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -67.7 -23.2 29.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.65 -30.82 57.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.9 tptt -83.34 -52.5 6.49 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -46.75 -43.0 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.781 -1.199 . . . . 0.0 108.863 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 6.9 mtt -64.27 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' LYS . 25.1 tt0 -60.98 -32.03 71.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.008 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.9 m -90.17 -33.04 16.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.524 -0.735 . . . . 0.0 109.432 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -89.0 -43.95 10.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.185 -0.947 . . . . 0.0 110.231 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.2 t0 -55.97 96.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.556 -1.34 . . . . 0.0 109.854 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.62 -36.87 14.15 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.9 p-10 -82.01 -3.56 54.76 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.93 45.54 95.44 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' GLU . 53.5 p30 -99.08 -6.04 29.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.477 -1.014 . . . . 0.0 109.554 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . 66.85 -1.25 6.04 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' ASP . 2.3 mp0 -122.96 176.64 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 69' ' ' ASP . 68.8 m -128.01 87.56 2.63 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.264 -0.897 . . . . 0.0 110.333 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 35.6 t70 -52.49 -173.56 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.285 -0.884 . . . . 0.0 108.668 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.689 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.0 OUTLIER -74.66 -30.14 61.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.4 -1.437 . . . . 0.0 111.264 -179.042 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -70.53 -39.3 74.13 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.746 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 33.0 tt0 -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.918 -1.114 . . . . 0.0 109.115 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 27' ' ' LEU . 4.4 t80 -53.58 -45.1 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.064 -1.023 . . . . 0.0 109.057 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 178.8 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.55 -20.04 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.558 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -75.23 -51.83 12.37 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.348 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 81' ' ' THR . 78.4 t -54.74 -34.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.009 -1.057 . . . . 0.0 108.556 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 82' ' ' THR . 4.1 t -66.24 -28.95 69.12 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.048 -1.032 . . . . 0.0 108.336 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.8 -31.36 59.4 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.152 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -87.8 -31.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 178.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 30.0 m -69.5 -38.23 77.53 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 78' ' ' SER . 7.7 p -64.45 -39.96 94.81 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.337 -0.852 . . . . 0.0 110.705 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.05 73.07 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.559 -1.338 . . . . 0.0 108.471 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -19.92 53.46 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.392 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.614 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 9.9 t-160 -86.12 -38.43 17.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.291 -0.881 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.33 -24.94 50.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 109.554 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.26 -41.39 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.242 -0.911 . . . . 0.0 109.31 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.6 t80 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.736 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.8 mm? -85.02 -26.93 26.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 0.0 110.116 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.41 -25.16 46.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.835 -1.166 . . . . 0.0 109.094 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -74.65 -50.58 17.19 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -54.05 50.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.221 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.412 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.8 mtm -54.88 -36.7 65.41 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.389 -0.82 . . . . 0.0 109.928 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.7 -47.35 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.119 . . . . 0.0 108.73 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.03 -36.79 65.89 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.616 -0.678 . . . . 0.0 110.014 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 11' ' ' ILE . 7.6 mp -79.81 -49.05 12.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 0.0 111.112 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.2 mt -44.31 -28.99 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 120.775 -1.203 . . . . 0.0 109.789 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -79.21 -50.6 10.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.004 . . . . 0.0 109.038 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 -27.08 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.464 -0.772 . . . . 0.0 109.207 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -73.16 -43.58 61.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.571 -0.705 . . . . 0.0 109.682 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.614 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 3.0 t-160 -78.07 -32.96 51.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.839 -1.163 . . . . 0.0 110.651 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.7 -37.65 82.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.787 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.49 -54.77 4.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 0.0 108.534 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -55.31 -22.05 17.26 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.99 1.75 57.91 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -66.84 -47.03 73.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.868 -1.372 . . . . 0.0 109.241 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.98 151.37 29.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 109.452 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 100.01 -159.8 19.45 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 6.2 t70 -49.75 -93.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.411 -1.052 . . . . 0.0 109.137 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.527 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 16.6 tptm -171.77 -8.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.913 . . . . 0.0 109.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 12.8 m-70 -142.76 34.97 1.41 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.682 -1.261 . . . . 0.0 111.411 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.34 47.17 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' B' ' 73' ' ' PHE . 3.8 mp -95.1 138.51 32.71 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 122.412 1.101 . . . . 0.0 110.437 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' B' ' 31' ' ' GLU . 41.6 mttm -109.0 156.5 19.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.492 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' B' ' 31' ' ' GLU . 46.8 mtmt -44.73 -49.46 10.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.921 -1.112 . . . . 0.0 109.166 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -49.6 -15.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.443 -0.786 . . . . 0.0 109.043 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 35' ' ' LEU . 40.1 mt-10 -101.64 -47.62 4.58 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.401 -0.812 . . . . 0.0 109.558 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.18 -36.33 83.29 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.42 -0.8 . . . . 0.0 110.042 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.81 -36.73 25.31 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.601 -1.312 . . . . 0.0 108.132 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.19 -30.69 54.93 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.991 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.2 tp -72.32 -30.29 64.63 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.734 HG21 HD12 ' B' ' 47' ' ' ILE . 74.3 mt -76.04 -39.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.306 -0.872 . . . . 0.0 109.414 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -82.79 -24.34 33.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.063 -1.023 . . . . 0.0 110.422 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.44 -44.36 7.57 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.966 -1.084 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp0 -99.2 -69.46 0.76 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.062 -1.024 . . . . 0.0 110.078 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.97 38.79 0.11 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.83 -19.44 21.72 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.744 -1.222 . . . . 0.0 110.161 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -91.89 -20.2 21.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.968 -1.083 . . . . 0.0 108.925 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 -39.85 5.24 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' B' ' 80' ' ' VAL . 6.6 tp -102.11 138.18 39.39 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 47' ' ' ILE . 34.6 mt-10 -48.2 132.89 15.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.328 -0.858 . . . . 0.0 109.496 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.37 84.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.734 HD12 HG21 ' B' ' 36' ' ' ILE . 6.6 mt -56.21 123.93 8.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 120.998 -1.064 . . . . 0.0 108.59 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.17 -16.23 11.58 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -99.67 151.65 20.97 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -93.18 -28.71 16.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -48.62 -30.85 5.83 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.226 -0.921 . . . . 0.0 109.982 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 53' ' ' VAL . 13.9 p -75.58 -37.89 37.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.435 ' N ' HG13 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -67.74 -23.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.502 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -76.77 -30.8 56.68 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 5.9 tptt -83.13 -52.63 6.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -46.62 -43.14 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.764 -1.21 . . . . 0.0 108.872 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.472 ' O ' ' N ' ' B' ' 61' ' ' ASP . 7.0 mtt -64.25 -31.65 72.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.856 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 24.9 tt0 -61.08 -32.08 71.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.002 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -90.15 -32.93 16.43 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.474 -0.766 . . . . 0.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 60' ' ' LEU . 4.5 mm? -89.14 -43.83 10.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.4 t0 -56.07 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.641 -1.287 . . . . 0.0 109.854 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -90.49 -37.01 14.19 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.3 p-10 -81.95 -3.31 54.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.76 45.54 95.52 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.177 -1.969 . . . . 0.0 108.177 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' B' ' 67' ' ' GLU . 53.7 p30 -99.03 -6.04 29.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -1.045 . . . . 0.0 109.559 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.413 ' O ' ' OE2' ' B' ' 67' ' ' GLU . . . 66.71 -0.9 6.3 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 65' ' ' ASP . 2.4 mp0 -123.1 176.39 6.08 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' B' ' 69' ' ' ASP . 74.8 m -127.87 87.53 2.63 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.262 -0.899 . . . . 0.0 110.345 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 35.6 t70 -52.36 -173.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 108.736 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.693 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -74.58 -30.15 61.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.442 -1.411 . . . . 0.0 111.232 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -70.5 -39.34 74.22 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.23 -0.918 . . . . 0.0 110.687 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 33.3 tt0 -89.44 -35.92 15.74 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.995 -1.066 . . . . 0.0 109.098 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.479 ' CD1' HD22 ' B' ' 27' ' ' LEU . 4.3 t80 -53.57 -45.18 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.031 -1.043 . . . . 0.0 108.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -62.11 -43.4 98.92 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.56 -20.06 1.77 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.593 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -74.96 -52.3 11.51 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.323 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' B' ' 81' ' ' THR . 77.1 t -54.39 -34.51 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 108.68 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 4.4 t -66.37 -29.04 69.13 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.043 -1.036 . . . . 0.0 108.239 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.83 -31.27 59.28 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.114 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -87.9 -31.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 178.666 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 29.2 m -69.59 -38.24 77.23 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 7.8 p -64.36 -40.05 95.1 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.212 -0.93 . . . . 0.0 110.66 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.9 72.97 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.552 -1.342 . . . . 0.0 108.423 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.16 -19.56 53.74 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.463 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 10.0 t-160 -86.3 -38.42 17.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 109.543 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.43 -25.05 50.31 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 109.45 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.09 -41.54 73.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.367 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.352 -179.783 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.253 0.549 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.99 -20.19 61.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.898 . . . . 0.0 109.991 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -73.93 -35.48 64.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.709 -1.244 . . . . 0.0 108.811 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.56 72.84 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 108.84 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.34 34.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.584 -0.697 . . . . 0.0 110.15 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 3.5 mtm -50.77 -39.67 53.08 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.098 -1.001 . . . . 0.0 109.631 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.67 -43.62 77.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.094 -1.004 . . . . 0.0 109.386 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.86 73.99 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.444 -0.785 . . . . 0.0 110.239 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -80.15 -48.18 13.57 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.777 -1.202 . . . . 0.0 111.024 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.93 -29.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.719 -1.238 . . . . 0.0 109.893 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.28 -51.51 9.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.54 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.16 -25.73 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 108.899 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.85 -48.35 54.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 1.0 OUTLIER -74.88 -35.73 62.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.076 -1.015 . . . . 0.0 110.701 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.75 -40.02 94.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.871 -1.143 . . . . 0.0 110.15 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 24.2 m-85 -81.12 -53.16 6.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.987 -1.071 . . . . 0.0 108.4 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -56.79 -29.52 62.75 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 5.66 83.56 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -71.34 -51.96 21.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.96 -1.318 . . . . 0.0 109.277 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.27 168.22 24.68 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.305 -0.872 . . . . 0.0 110.606 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.81 -150.18 23.42 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.2 165.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -1.021 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -97.92 -14.77 20.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.456 -0.778 . . . . 0.0 111.096 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -126.61 27.27 6.13 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.678 -1.263 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -136.88 148.81 47.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 73' ' ' PHE . 5.8 mp -93.11 135.14 34.57 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.293 1.044 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.64 151.79 21.2 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.458 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' GLU . 38.1 mttm -43.68 -51.12 7.29 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.69 -1.256 . . . . 0.0 109.51 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -48.75 -13.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.424 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LYS . 44.0 mt-10 -101.32 -40.42 7.13 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.439 -0.788 . . . . 0.0 109.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.65 -47.78 68.58 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.267 -0.896 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -72.29 -35.79 68.79 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.604 -1.31 . . . . 0.0 108.686 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -76.26 -31.83 58.51 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.13 -0.981 . . . . 0.0 109.801 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 31.1 tp -69.72 -29.16 66.48 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG23 HD23 ' A' ' 44' ' ' LEU . 70.1 mt -77.4 -38.72 26.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.4 t30 -85.51 -27.75 25.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.085 -1.01 . . . . 0.0 111.626 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -86.73 -46.82 9.66 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.592 -1.317 . . . . 0.0 113.278 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 41' ' ' SER . 5.5 tp10 -110.85 -48.24 3.15 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.682 -1.261 . . . . 0.0 109.638 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -79.78 27.9 0.28 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -85.04 -16.54 40.38 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.477 -0.764 . . . . 0.0 110.889 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.4 -24.12 14.58 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.954 -1.092 . . . . 0.0 110.148 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -50.92 3.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.21 -0.931 . . . . 0.0 108.669 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' HD12 ' A' ' 40' ' ' LEU . 47.2 tp -90.85 140.15 30.08 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.002 . . . . 0.0 108.472 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -48.31 131.47 16.62 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 109.617 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -59.76 89.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 110.003 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -63.5 125.44 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -107.58 -17.79 14.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.547 -0.72 . . . . 0.0 109.296 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.79 148.18 24.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.418 -0.801 . . . . 0.0 109.241 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.21 -28.97 14.76 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 109.73 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.33 -29.4 6.04 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.698 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 53' ' ' VAL . 18.9 m -74.74 -37.36 42.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.44 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.83 -23.09 31.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.97 -34.21 38.83 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -77.66 -52.03 9.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.62 -0.675 . . . . 0.0 109.334 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.0 p -49.53 -42.33 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.5 mmt -55.6 -31.66 62.43 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.4 tp10 -63.21 -36.85 85.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.298 -0.876 . . . . 0.0 109.115 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -81.97 -32.05 30.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.296 -0.877 . . . . 0.0 109.675 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -94.14 -45.08 7.7 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.172 -0.955 . . . . 0.0 110.941 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' MET . 34.5 t0 -55.78 106.69 0.27 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.351 -1.468 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' B' ' 62' ' ' GLU . 32.5 tt0 -89.67 -47.47 7.92 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 4.9 p30 -76.06 -1.81 27.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.52 42.68 90.35 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 32.6 p30 -95.82 -3.57 45.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.709 -0.877 . . . . 0.0 109.905 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.63 9.95 66.21 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -129.35 169.97 14.23 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 30.8 m -127.67 87.55 2.64 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.525 -0.735 . . . . 0.0 109.886 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 68' ' ' CYS . 27.6 t0 -50.47 -175.18 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.737 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -75.16 -30.74 60.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.926 -1.109 . . . . 0.0 110.707 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -71.49 -38.18 71.2 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.937 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 7.0 tt0 -89.75 -38.15 14.03 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.075 -1.016 . . . . 0.0 108.86 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -52.94 -45.94 67.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.853 -1.154 . . . . 0.0 108.427 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -45.22 84.18 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.92 -18.6 1.4 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.496 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -74.95 -55.54 5.66 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.811 -1.18 . . . . 0.0 108.922 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.1 t -55.34 -33.03 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.082 -1.011 . . . . 0.0 108.723 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 82' ' ' THR . 37.7 p -65.27 -34.12 77.59 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.862 0.839 . . . . 0.0 109.245 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.54 -28.42 62.84 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.25 -35.02 9.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.429 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 19.8 m -69.23 -36.37 77.13 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.661 HG21 ' CD1' ' B' ' 70' ' ' PHE . 12.1 p -65.04 -41.05 95.54 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.277 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.35 69.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.447 -1.408 . . . . 0.0 108.639 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.07 -20.4 62.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.531 -0.73 . . . . 0.0 109.183 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 62.1 t60 -105.17 -30.52 9.65 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 109.395 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -75.38 -48.57 22.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.114 -0.991 . . . . 0.0 109.582 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.77 -29.58 63.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 109.541 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.95 -20.15 61.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.255 -0.903 . . . . 0.0 110.041 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -73.89 -35.49 64.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.757 -1.215 . . . . 0.0 108.825 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.59 72.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -55.34 34.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.429 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 3.5 mtm -50.63 -39.85 51.45 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.12 -0.987 . . . . 0.0 109.517 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.71 -43.42 77.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.139 -0.976 . . . . 0.0 109.411 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.84 74.15 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.418 -0.801 . . . . 0.0 110.142 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.6 mp -80.12 -48.24 13.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.828 -1.17 . . . . 0.0 110.96 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.9 -29.09 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -79.23 -51.6 9.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 109.553 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.92 -25.92 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 108.927 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 10' ' ' LEU . 6.3 t80 -70.69 -48.53 54.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.488 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -74.71 -35.91 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.095 -1.003 . . . . 0.0 110.649 -178.643 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.66 -39.98 94.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.898 -1.126 . . . . 0.0 110.168 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.422 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 24.1 m-85 -81.17 -53.32 6.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.379 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -56.8 -29.43 62.7 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 5.61 83.71 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -71.26 -52.05 21.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.903 -1.351 . . . . 0.0 109.255 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.32 168.03 25.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.31 -0.869 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.94 -149.93 24.6 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.39 166.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 109.669 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -98.1 -14.59 20.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.486 -0.759 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -126.64 27.09 6.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.797 -1.189 . . . . 0.0 111.248 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -136.72 148.83 47.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 73' ' ' PHE . 5.8 mp -93.04 135.03 34.58 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.245 1.021 . . . . 0.0 110.204 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.57 151.97 20.97 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 38.2 mttm -43.8 -51.14 7.55 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.685 -1.259 . . . . 0.0 109.519 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -48.85 -13.46 0.05 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.462 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' LYS . 43.4 mt-10 -101.37 -40.39 7.12 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.564 -0.71 . . . . 0.0 109.477 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.8 -47.44 69.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -72.54 -35.8 68.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.564 -1.335 . . . . 0.0 108.609 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -76.31 -31.69 58.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.093 -1.005 . . . . 0.0 109.85 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 30.7 tp -69.71 -29.38 66.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.442 HG23 HD23 ' B' ' 44' ' ' LEU . 68.8 mt -77.32 -38.78 27.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' B' ' 41' ' ' SER . 1.4 t30 -85.45 -27.69 25.56 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.178 -0.951 . . . . 0.0 111.738 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -86.73 -46.8 9.68 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.584 -1.322 . . . . 0.0 113.343 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' B' ' 41' ' ' SER . 5.5 tp10 -110.86 -48.32 3.14 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.678 -1.263 . . . . 0.0 109.653 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -79.67 27.89 0.28 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.442 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.06 -16.62 40.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.861 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.47 -24.13 14.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.837 -1.164 . . . . 0.0 110.156 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.7 -51.07 3.53 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.307 -0.871 . . . . 0.0 108.705 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.443 ' HB2' HD12 ' B' ' 40' ' ' LEU . 47.3 tp -90.78 140.2 30.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.054 -1.029 . . . . 0.0 108.495 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -48.33 131.59 16.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.711 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -59.85 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.543 -0.723 . . . . 0.0 110.013 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.5 125.58 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -107.65 -17.87 13.98 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.568 -0.708 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.76 148.42 23.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.45 -28.97 14.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.3 -0.875 . . . . 0.0 109.726 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.38 -29.36 6.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.2 -0.938 . . . . 0.0 109.671 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.441 HG23 ' N ' ' B' ' 53' ' ' VAL . 19.4 m -74.81 -37.41 42.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.441 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.76 -23.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -79.93 -34.27 39.0 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.4 OUTLIER -77.56 -52.1 9.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.616 -0.677 . . . . 0.0 109.366 179.343 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -49.5 -42.35 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.519 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.5 mmt -55.57 -31.74 62.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 55' ' ' LYS . 10.4 tp10 -63.15 -36.97 85.37 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.217 -0.927 . . . . 0.0 109.086 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 m -81.99 -31.78 30.94 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 109.717 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.28 -45.27 7.57 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.198 -0.939 . . . . 0.0 110.893 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 34.6 t0 -55.62 106.54 0.26 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.402 -1.437 . . . . 0.0 109.998 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' A' ' 62' ' ' GLU . 30.6 tt0 -89.63 -47.3 8.04 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 4.8 p30 -76.04 -1.83 27.78 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.66 42.45 90.9 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 107.514 -2.235 . . . . 0.0 107.514 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 32.2 p30 -95.58 -3.56 46.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.607 -0.937 . . . . 0.0 109.926 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 9.75 66.17 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -129.0 170.06 13.92 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.477 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 27.5 m -127.71 87.54 2.64 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.517 -0.74 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 68' ' ' CYS . 27.7 t0 -50.49 -175.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.444 -0.785 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.661 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -75.21 -30.85 60.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.884 -1.135 . . . . 0.0 110.689 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -71.45 -38.12 71.33 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 109.949 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 7.1 tt0 -89.83 -38.03 14.05 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.105 -0.997 . . . . 0.0 108.971 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.446 ' CD1' HD22 ' B' ' 27' ' ' LEU . 3.0 t80 -52.98 -46.12 68.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.882 -1.136 . . . . 0.0 108.343 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -45.3 83.47 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.02 -18.5 1.42 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.492 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -74.9 -55.43 5.79 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 108.871 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' B' ' 81' ' ' THR . 75.2 t -55.48 -33.03 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.083 -1.011 . . . . 0.0 108.746 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' B' ' 82' ' ' THR . 38.2 p -65.28 -33.96 77.21 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.754 0.788 . . . . 0.0 109.125 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.71 -28.47 62.69 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.15 -35.19 9.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 18.4 m -69.23 -36.19 76.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.667 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.8 p -65.22 -40.91 94.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.526 -0.87 . . . . 0.0 111.204 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.4 69.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.531 -1.355 . . . . 0.0 108.646 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.09 -20.09 62.38 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.544 -0.722 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.485 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 62.7 t60 -105.27 -30.56 9.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.466 -0.771 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -75.33 -48.81 21.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.069 -1.019 . . . . 0.0 109.486 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -72.51 -29.76 63.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.775 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.137 -0.977 . . . . 0.0 109.552 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -75.61 -26.72 58.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 110.211 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -76.97 -20.87 55.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.666 -1.271 . . . . 0.0 108.383 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 19.4 mmtt -75.14 -50.6 15.77 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.75 21.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.0 110.956 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtt -52.64 -36.5 56.76 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.559 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.88 -41.13 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.668 -1.27 . . . . 0.0 109.581 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.75 76.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.3 mp -77.82 -45.05 25.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.984 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mm -46.05 -38.52 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.971 -1.081 . . . . 0.0 109.901 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.07 -51.69 17.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.104 -0.997 . . . . 0.0 110.323 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.94 -26.4 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.895 -1.128 . . . . 0.0 108.781 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 31.6 t80 -72.5 -48.79 37.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 109.813 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' CE1' ' HZ2' ' A' ' 24' ' ' LYS . 8.3 t60 -78.45 -30.58 47.56 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.012 -1.055 . . . . 0.0 110.71 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -67.55 -40.54 84.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.977 -1.077 . . . . 0.0 110.449 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.11 -52.92 7.54 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 108.975 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' ASP . 21.7 m -56.07 -28.26 56.9 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 1.99 84.45 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -66.65 -50.12 63.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.236 . . . . 0.0 108.617 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -160.24 154.03 22.74 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.63 -136.14 41.69 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 12.7 m-20 -40.3 157.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.973 -0.722 . . . . 0.0 110.174 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HZ2' ' CE1' ' A' ' 15' ' ' HIS . 19.7 tttm -100.07 -25.07 14.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.526 -0.734 . . . . 0.0 110.333 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -133.2 33.1 3.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.196 -0.94 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.23 146.97 49.15 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 73' ' ' PHE . 6.9 mp -100.14 136.17 40.45 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 123.03 1.395 . . . . 0.0 110.999 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 33.3 mttm -106.48 157.42 17.67 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 114.135 -1.393 . . . . 0.0 107.961 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.8 mtmm -43.38 -50.92 6.71 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.324 -0.86 . . . . 0.0 109.49 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.28 -16.08 0.16 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 109.423 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' LYS . 32.1 mt-10 -99.89 -36.71 9.32 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.275 -0.891 . . . . 0.0 109.055 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -51.14 31.41 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.549 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.26 -35.68 73.93 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.036 -1.04 . . . . 0.0 109.66 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -76.75 -31.29 57.0 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.006 -1.058 . . . . 0.0 109.772 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.6 tp -70.45 -39.01 74.56 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.73 -44.44 99.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.302 0.572 . . . . 0.0 109.665 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -81.68 -23.01 37.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.355 -0.841 . . . . 0.0 111.314 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.67 -46.13 11.03 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.587 -1.321 . . . . 0.0 111.69 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 41' ' ' SER . 2.5 mp0 -104.66 -61.18 1.49 Allowed 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.788 -1.195 . . . . 0.0 109.273 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.693 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -74.77 35.76 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.975 -1.078 . . . . 0.0 109.26 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -77.67 -20.1 54.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 108.579 178.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -99.34 -17.75 17.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.295 -0.878 . . . . 0.0 109.193 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.04 -56.5 2.19 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 80' ' ' VAL . 72.9 mt -89.86 129.91 36.17 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.89 140.03 31.9 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.51 106.0 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.907 -1.12 . . . . 0.0 109.782 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 pt -70.69 135.47 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.908 -1.12 . . . . 0.0 109.505 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 48' ' ' LYS . 8.8 mtmp? -103.86 -17.65 14.95 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.36 138.74 52.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.52 -14.71 59.6 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.145 -0.972 . . . . 0.0 109.439 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -46.86 -34.95 5.83 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.969 -1.082 . . . . 0.0 110.413 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.12 -37.98 26.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.519 -1.363 . . . . 0.0 107.72 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -23.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -77.5 -32.26 54.07 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -78.1 -55.5 5.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -49.07 -41.95 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.586 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.3 mmm -60.81 -29.05 69.23 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.0 tp10 -67.65 -38.12 83.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 108.449 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.3 m -78.73 -27.91 44.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.49 -0.756 . . . . 0.0 109.416 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.17 -44.35 6.63 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.265 -0.897 . . . . 0.0 111.328 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 57' ' ' MET . 37.1 t0 -56.06 100.93 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.113 -1.617 . . . . 0.0 110.032 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.75 -41.72 11.1 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 1.1 p30 -77.19 -4.75 46.27 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.07 44.35 97.38 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 67' ' ' GLU . 13.0 p30 -99.94 -5.83 27.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.473 -1.016 . . . . 0.0 109.965 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.23 0.86 17.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 65' ' ' ASP . 49.0 mt-10 -120.89 172.72 7.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 16.0 m -127.42 90.43 3.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.035 -1.041 . . . . 0.0 110.894 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' CYS . 20.4 m-20 -52.77 -174.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.094 -1.004 . . . . 0.0 108.568 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.716 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -73.9 -31.24 63.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.335 -1.478 . . . . 0.0 111.253 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -76.24 -30.31 57.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.075 -1.016 . . . . 0.0 110.734 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.71 -40.51 12.48 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.671 -1.268 . . . . 0.0 109.004 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.0 t80 -58.37 -38.78 77.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.126 0.965 . . . . 0.0 108.581 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 14.7 ttt -77.18 -16.37 59.13 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.87 -22.31 46.21 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.56 -49.8 30.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.74 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 81' ' ' THR . 49.9 t -57.26 -33.31 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.527 -1.358 . . . . 0.0 107.806 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -63.59 -38.0 89.45 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.209 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttt -68.04 -26.31 65.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 44' ' ' LEU . 44.8 t -85.02 -35.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' VAL . 22.2 m -71.63 -36.7 70.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.709 HG21 ' CD1' ' B' ' 70' ' ' PHE . 32.6 p -66.1 -41.02 91.17 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.301 -0.874 . . . . 0.0 110.877 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.681 -1.262 . . . . 0.0 108.006 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.6 m -76.58 -22.13 54.68 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.387 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.445 ' HE2' ' CG ' ' B' ' 15' ' ' HIS . 45.8 t60 -87.37 -36.45 17.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.92 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.3 -25.19 51.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.0 109.201 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -64.34 -56.12 16.58 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.25 -0.906 . . . . 0.0 109.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.495 1.777 0 O-C-N 120.933 -1.104 . . . . 0.0 109.507 -179.785 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -75.23 -26.53 58.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.621 -0.674 . . . . 0.0 110.359 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -76.65 -21.0 56.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.855 -1.153 . . . . 0.0 108.409 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -75.34 -50.6 15.49 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.44 34.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 111.148 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.13 -36.53 60.9 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 110.454 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -76.54 -42.09 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.899 -1.126 . . . . 0.0 109.594 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.74 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.612 -0.68 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -77.68 -45.27 25.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.825 -1.172 . . . . 0.0 109.896 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -46.08 -37.94 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.935 -1.103 . . . . 0.0 109.868 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.5 -51.93 15.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.931 -1.105 . . . . 0.0 110.315 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.82 -26.66 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 108.691 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 10' ' ' LEU . 29.9 t80 -71.67 -49.53 38.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.342 -0.849 . . . . 0.0 109.725 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.445 ' CG ' ' HE2' ' A' ' 85' ' ' HIS . 7.7 t60 -78.19 -30.67 49.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.143 -0.973 . . . . 0.0 110.821 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -67.31 -40.07 85.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.933 -1.104 . . . . 0.0 110.133 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -79.6 -52.92 7.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.48 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.1 m -56.04 -28.38 57.19 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.01 1.76 85.12 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.21 -50.05 62.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.05 -1.264 . . . . 0.0 108.681 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -159.46 154.83 25.49 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.09 -135.65 45.91 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 13.5 m-20 -40.33 158.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.872 -0.781 . . . . 0.0 110.32 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.408 ' NZ ' ' CE1' ' B' ' 15' ' ' HIS . 18.2 tttm -100.79 -23.55 14.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.664 -0.647 . . . . 0.0 110.145 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -134.63 32.65 3.29 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.842 -1.161 . . . . 0.0 110.646 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 146.93 49.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 73' ' ' PHE . 6.7 mp -100.53 136.58 40.19 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 122.815 1.293 . . . . 0.0 110.789 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.6 mttm -107.07 158.2 17.24 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.974 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 31' ' ' GLU . 29.6 mtmm -43.93 -50.48 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -48.75 -16.61 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.54 -0.725 . . . . 0.0 109.414 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 30.1 mt-10 -99.84 -37.49 9.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.256 -0.902 . . . . 0.0 108.898 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.79 -51.16 36.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.185 -0.947 . . . . 0.0 109.827 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.01 -35.95 74.75 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.025 -1.047 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.06 -31.05 55.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.085 -1.01 . . . . 0.0 110.047 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 20.4 tp -70.05 -39.4 75.73 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.62 -44.9 99.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.015 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -81.21 -23.03 38.4 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 111.358 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -85.34 -46.0 11.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.619 -1.3 . . . . 0.0 111.548 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 41' ' ' SER . 2.9 mp0 -105.44 -60.64 1.59 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.802 -1.186 . . . . 0.0 109.402 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.668 HD22 ' H ' ' B' ' 40' ' ' LEU . 1.9 mm? -74.83 35.44 0.1 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.155 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -77.78 -19.88 54.28 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.955 . . . . 0.0 108.704 178.576 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -98.69 -19.53 17.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.223 -0.923 . . . . 0.0 109.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.02 -55.59 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.451 HD21 HG13 ' B' ' 80' ' ' VAL . 73.7 mt -90.8 129.8 36.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.223 -0.923 . . . . 0.0 108.891 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.04 139.4 28.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -66.48 106.46 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.924 -1.11 . . . . 0.0 109.638 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.407 HD13 HG21 ' B' ' 47' ' ' ILE . 6.7 pt -71.39 135.33 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.837 -1.164 . . . . 0.0 109.498 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 9.0 mtmp? -103.59 -17.47 15.15 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -118.37 138.12 52.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -76.88 -14.87 59.84 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 109.619 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -47.1 -34.54 6.06 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.028 -1.045 . . . . 0.0 110.24 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 m -77.43 -37.74 25.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.562 -1.336 . . . . 0.0 107.59 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -23.57 32.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 178.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.8 -33.02 52.72 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -77.57 -55.45 5.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.7 p -48.93 -42.43 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.581 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.3 mmm -60.14 -29.48 68.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 55' ' ' LYS . 7.0 tp10 -67.31 -38.11 84.44 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.133 -0.979 . . . . 0.0 108.503 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.6 m -78.95 -27.7 43.6 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.34 -44.18 6.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.244 -0.91 . . . . 0.0 111.193 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.6 t0 -55.98 100.44 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 119.976 -1.703 . . . . 0.0 110.016 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.8 -41.71 11.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 1.1 p30 -76.6 -4.03 40.82 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.26 44.06 96.77 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 15.5 p30 -100.02 -5.48 28.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.391 -1.064 . . . . 0.0 110.016 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.22 0.91 17.86 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -121.23 173.72 7.14 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.581 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 21.7 m -128.01 90.25 3.06 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.219 -0.925 . . . . 0.0 110.898 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 68' ' ' CYS . 19.3 m-20 -52.73 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 0.0 108.51 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.4 p90 -73.2 -31.65 64.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.562 -1.336 . . . . 0.0 111.292 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -75.74 -30.84 59.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.909 -1.119 . . . . 0.0 110.676 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -89.92 -40.1 12.6 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.703 -1.248 . . . . 0.0 108.965 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.1 t80 -58.13 -38.93 77.46 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 12.8 ttt -77.16 -16.41 59.14 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.6 46.3 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.31 -49.62 33.1 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.523 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 81' ' ' THR . 47.8 t -57.68 -32.75 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.641 -1.287 . . . . 0.0 107.891 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -63.85 -38.24 90.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.8 ttt -67.71 -26.73 66.31 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.451 HG13 HD21 ' B' ' 44' ' ' LEU . 53.7 t -84.99 -35.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 77' ' ' VAL . 18.1 m -71.81 -36.45 70.25 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.716 HG21 ' CD1' ' A' ' 70' ' ' PHE . 32.1 p -66.11 -40.34 90.66 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.133 -0.979 . . . . 0.0 110.887 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.51 69.84 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.711 -1.243 . . . . 0.0 107.814 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 66.5 m -77.12 -21.47 54.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.233 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.45 ' HE2' ' CG ' ' A' ' 15' ' ' HIS . 44.2 t60 -87.46 -36.83 17.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.184 -0.948 . . . . 0.0 109.163 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.8 -25.11 48.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.392 -0.818 . . . . 0.0 109.386 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.07 -55.64 20.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.799 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.652 HD12 HD21 ' B' ' 40' ' ' LEU . 62.5 mt -72.81 -16.57 61.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.931 -1.106 . . . . 0.0 110.178 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.57 -32.06 60.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.606 -1.308 . . . . 0.0 107.695 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.58 -44.73 77.49 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.38 79.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 109.799 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -54.97 -41.37 71.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.35 -0.843 . . . . 0.0 109.845 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.91 -43.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.634 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.76 -32.1 73.17 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -79.94 -49.54 11.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HD1' ' B' ' 85' ' ' HIS . 51.7 mt -46.79 -30.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.919 -1.113 . . . . 0.0 109.426 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -75.24 -51.5 13.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.69 -26.71 18.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.36 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 8.2 t80 -72.37 -46.76 53.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.95 . . . . 0.0 109.577 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 5.7 t-80 -75.87 -32.82 59.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.941 . . . . 0.0 110.525 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -67.13 -38.39 85.47 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.964 -1.085 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 34.4 m-85 -90.16 -59.67 2.13 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.003 -1.061 . . . . 0.0 109.325 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m -51.62 -25.16 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.157 -0.964 . . . . 0.0 108.628 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.72 -0.39 55.3 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 34' ' ' GLU . 21.3 ttt85 -58.42 -40.57 82.84 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.668 -1.489 . . . . 0.0 108.908 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.02 165.08 37.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.481 -0.762 . . . . 0.0 109.985 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -161.9 23.35 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -46.86 -81.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.474 -1.016 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 3.5 tmtm? -172.97 -8.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 109.063 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 16.8 m-70 -155.52 46.94 0.5 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.079 -1.013 . . . . 0.0 110.181 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -127.1 144.98 50.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.033 -1.042 . . . . 0.0 108.429 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -95.73 124.97 39.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.191 -0.943 . . . . 0.0 110.704 -178.432 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -111.38 156.33 21.77 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.4 ttpp -46.59 -47.64 19.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.805 -1.184 . . . . 0.0 110.402 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -46.46 -12.46 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 0.0 110.758 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.3 mt-10 -101.14 -36.91 8.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.15 -0.969 . . . . 0.0 108.388 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.728 HD12 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -60.0 -58.39 8.76 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 109.082 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.39 -34.44 77.97 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.238 -0.913 . . . . 0.0 109.649 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 20' ' ' ARG . 65.7 tt0 -78.36 -34.75 48.2 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.101 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.0 tp -71.21 -32.81 69.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.202 -0.936 . . . . 0.0 108.996 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -75.05 -36.23 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.655 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -82.09 -23.35 35.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 110.864 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.7 -44.14 7.24 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.061 -1.024 . . . . 0.0 111.86 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -103.52 -63.98 1.13 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.002 -1.061 . . . . 0.0 110.416 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 HD12 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -76.8 37.04 0.17 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 -179.444 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -21.9 20.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.924 -1.11 . . . . 0.0 109.507 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -91.31 -22.51 20.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -49.73 3.68 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' LEU . 6.3 mp -102.66 130.03 49.45 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.85 141.78 16.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.873 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.82 104.5 2.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.286 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.9 pt -57.57 138.82 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.969 -1.082 . . . . 0.0 109.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -104.84 -17.85 14.43 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.43 139.01 52.07 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' ASP . 2.6 pt20 -76.01 -18.89 59.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -42.14 -40.46 2.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.111 -0.993 . . . . 0.0 111.287 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.4 -36.91 37.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.672 -1.268 . . . . 0.0 108.03 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.728 ' CG2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.63 -23.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 178.561 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 m-20 -76.08 -33.07 59.54 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.54 17.85 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -40.05 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.826 -1.172 . . . . 0.0 108.357 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.6 mtt -64.54 -36.08 83.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.449 -0.782 . . . . 0.0 109.234 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -62.99 -29.3 70.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 108.989 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.8 m -87.79 -31.43 19.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.522 -0.736 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.1 mm? -95.18 -44.53 7.59 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.134 -0.979 . . . . 0.0 110.765 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' MET . 1.4 m-20 -55.37 111.45 0.88 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.491 -1.38 . . . . 0.0 110.262 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.07 -42.52 16.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 11.9 p30 -83.18 -1.91 54.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.86 43.54 94.71 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 107.604 -2.198 . . . . 0.0 107.604 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -95.37 -4.66 44.91 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.633 -0.922 . . . . 0.0 109.933 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 71.73 5.83 61.69 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.923 -2.071 . . . . 0.0 107.923 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -129.43 163.27 26.19 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' ASP . 3.3 m -127.24 98.63 5.35 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.325 -0.859 . . . . 0.0 111.163 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 18.8 t0 -53.91 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -77.16 -36.88 54.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.17 -1.582 . . . . 0.0 110.903 -179.01 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' OE1' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.1 -28.84 62.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.838 -1.164 . . . . 0.0 109.601 -178.792 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.1 tt0 -89.9 -42.88 10.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -51.89 -42.77 62.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 108.829 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.43 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -43.77 98.19 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.71 -19.32 2.32 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.553 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -74.92 -55.37 5.85 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.311 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.2 t -55.53 -32.13 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.944 -1.097 . . . . 0.0 108.104 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 82' ' ' THR . 12.9 t -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.71 -32.07 57.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.783 -0.573 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -33.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.0 m -67.87 -38.82 83.58 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 78' ' ' SER . 7.4 p -61.34 -40.04 92.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.922 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.22 91.83 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.726 -1.234 . . . . 0.0 108.27 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.9 t -63.13 -24.77 68.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.646 -0.822 . . . . 0.0 108.957 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.555 ' HD1' HG23 ' B' ' 11' ' ' ILE . 65.4 t60 -96.35 -32.9 12.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.382 -0.824 . . . . 0.0 109.529 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -78.88 -43.76 24.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.62 -40.3 78.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.081 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.875 . . . . 0.0 109.459 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 40' ' ' LEU . 63.9 mt -72.83 -16.59 61.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.112 . . . . 0.0 110.169 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.54 -32.1 60.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.56 -1.337 . . . . 0.0 107.707 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.57 -44.51 78.03 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.18 79.16 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -55.06 -41.43 71.47 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 109.711 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.77 -43.6 40.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 109.645 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.93 73.11 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.302 -0.874 . . . . 0.0 109.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.421 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -79.98 -49.51 11.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.003 -1.06 . . . . 0.0 110.562 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.555 HG23 ' HD1' ' A' ' 85' ' ' HIS . 52.9 mt -46.81 -30.76 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.837 -1.164 . . . . 0.0 109.45 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -75.13 -51.59 13.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 0.0 109.443 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.62 -26.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.163 -0.961 . . . . 0.0 109.318 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -72.18 -46.89 54.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 109.571 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.496 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 5.6 t-80 -75.97 -32.73 59.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.136 -0.978 . . . . 0.0 110.526 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -67.21 -38.41 85.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.003 -1.061 . . . . 0.0 109.793 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 34.6 m-85 -90.13 -59.68 2.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.346 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -51.42 -25.33 6.09 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.213 -0.929 . . . . 0.0 108.659 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.33 55.37 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' ' OE2' ' B' ' 34' ' ' GLU . 21.3 ttt85 -58.45 -40.54 82.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.727 -1.455 . . . . 0.0 108.96 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.0 165.1 37.1 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.486 -0.759 . . . . 0.0 110.031 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.27 -161.93 23.47 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -46.82 -81.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.394 -1.062 . . . . 0.0 109.292 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.469 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 3.6 tmtm? -172.91 -8.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.035 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 17.4 m-70 -155.59 46.93 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 110.227 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -127.16 145.0 50.91 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.098 -1.002 . . . . 0.0 108.378 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.415 HD22 ' OE2' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -95.79 125.02 40.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.276 -0.89 . . . . 0.0 110.738 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -111.36 156.2 21.94 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.4 ttpp -46.56 -47.61 19.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 110.307 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.0 m -46.36 -12.56 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.158 -0.964 . . . . 0.0 110.797 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' LYS . 6.4 mt-10 -101.22 -36.74 8.81 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.714 HD12 ' CG2' ' B' ' 53' ' ' VAL . 0.2 OUTLIER -60.13 -58.4 8.69 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.349 -0.845 . . . . 0.0 109.031 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.31 -34.36 77.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.001 . . . . 0.0 109.779 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' B' ' 20' ' ' ARG . 65.9 tt0 -78.52 -34.65 47.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.966 . . . . 0.0 110.049 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' B' ' 31' ' ' GLU . 54.6 tp -71.29 -32.72 68.99 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 108.967 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -75.02 -36.35 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -82.18 -23.26 35.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.274 -0.891 . . . . 0.0 110.755 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.68 -44.22 7.21 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.088 -1.008 . . . . 0.0 111.779 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -103.52 -63.92 1.14 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.903 -1.123 . . . . 0.0 110.429 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -76.88 37.16 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.53 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.98 -21.68 20.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.8 -1.188 . . . . 0.0 109.537 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -91.37 -22.62 20.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 108.95 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.09 -49.66 3.7 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.2 mp -102.79 130.08 49.66 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.76 141.54 16.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.118 -0.989 . . . . 0.0 108.96 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.61 104.46 2.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 47' ' ' ILE . 30.4 pt -57.59 138.89 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.941 -1.099 . . . . 0.0 109.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -104.96 -17.71 14.43 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.54 139.1 51.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' B' ' 53' ' ' VAL . 2.6 pt20 -76.21 -18.82 58.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.883 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 50' ' ' GLN . 68.2 tt0 -42.13 -40.38 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.14 -0.975 . . . . 0.0 111.221 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 m -75.52 -36.98 36.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 120.674 -1.266 . . . . 0.0 108.004 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.714 ' CG2' HD12 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -68.5 -23.71 28.44 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' B' ' 50' ' ' GLN . 6.5 m-20 -76.21 -33.03 59.26 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.48 17.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -40.15 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.708 -1.245 . . . . 0.0 108.385 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.423 ' O ' ' N ' ' B' ' 61' ' ' ASP . 14.8 mtt -64.4 -36.31 83.73 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.458 -0.776 . . . . 0.0 109.218 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.86 -29.37 70.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -0.905 . . . . 0.0 108.925 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 57.6 m -87.82 -31.31 19.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.513 -0.742 . . . . 0.0 109.706 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.2 -44.66 7.52 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.057 -1.027 . . . . 0.0 110.732 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 1.4 m-20 -55.43 111.53 0.9 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.496 -1.377 . . . . 0.0 110.216 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -84.02 -42.58 16.03 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 11.8 p30 -83.11 -1.93 54.11 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.84 43.49 94.7 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 107.578 -2.209 . . . . 0.0 107.578 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 39.5 p-10 -95.3 -4.85 44.83 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.68 -0.894 . . . . 0.0 109.924 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.412 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 71.9 5.72 62.06 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.41 163.32 26.08 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 3.3 m -127.26 98.65 5.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.366 -0.834 . . . . 0.0 111.254 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CE1' ' B' ' 70' ' ' PHE . 18.9 t0 -53.8 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -77.2 -36.81 54.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.256 -1.528 . . . . 0.0 110.941 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -73.16 -28.94 62.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.901 -1.124 . . . . 0.0 109.572 -178.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 20.1 tt0 -89.66 -43.02 11.02 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.88 -42.72 62.9 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.177 -0.952 . . . . 0.0 108.868 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.421 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.85 -43.85 98.01 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.73 -19.34 2.36 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.487 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -74.83 -55.37 5.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.94 -1.1 . . . . 0.0 108.333 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.57 -32.18 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.772 ' O ' HG23 ' B' ' 82' ' ' THR . 12.3 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.75 -32.07 57.52 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.763 -0.586 . . . . 0.0 109.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -33.39 7.13 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -67.95 -38.93 83.42 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.772 HG23 ' O ' ' B' ' 78' ' ' SER . 7.5 p -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.919 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.13 91.73 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.817 -1.177 . . . . 0.0 108.366 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 t -63.21 -24.82 68.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.655 -0.818 . . . . 0.0 108.944 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.552 ' HD1' HG23 ' A' ' 11' ' ' ILE . 65.3 t60 -96.27 -32.94 12.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 82' ' ' THR . 39.3 tt0 -78.96 -43.68 24.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.64 -40.33 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.371 -0.831 . . . . 0.0 109.098 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.819 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 17.2 mp0 . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.505 HD23 HG21 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -71.96 -21.87 61.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -75.85 -33.86 60.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.929 -1.107 . . . . 0.0 109.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -70.02 -45.3 67.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.32 29.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 110.105 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt -50.33 -39.96 47.54 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 109.655 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -72.95 -42.91 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.332 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.06 76.16 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.917 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 9.8 mp -80.21 -47.96 13.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.928 -1.107 . . . . 0.0 110.778 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.4 mt -44.79 -28.56 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.873 -1.142 . . . . 0.0 109.616 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.81 -51.25 9.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.961 . . . . 0.0 109.29 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG21 HD23 ' B' ' 3' ' ' LEU . 20.8 t -74.19 -26.21 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.69 -45.4 62.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.512 -0.743 . . . . 0.0 109.835 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -35.02 50.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.891 -1.131 . . . . 0.0 110.396 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.89 -40.45 83.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.103 -0.998 . . . . 0.0 110.616 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -87.63 -57.18 3.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.879 -1.138 . . . . 0.0 109.241 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 4.5 t -53.36 -21.55 5.97 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.779 -1.2 . . . . 0.0 107.817 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.09 1.35 54.79 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.87 -42.48 89.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.8 -1.412 . . . . 0.0 108.338 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -150.86 170.23 19.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 -163.73 26.83 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -51.06 -69.54 0.11 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -1.224 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' ' H ' ' A' ' 25' ' ' HIS . 29.6 tttt -171.92 -8.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 0.0 109.308 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' H ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.0 109.697 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' N ' ' OG ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -135.81 141.41 44.72 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.238 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 tt -92.49 119.47 32.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.379 -1.451 . . . . 0.0 110.311 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.2 mttm -108.71 151.39 26.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpt -43.39 -50.7 6.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.129 -0.982 . . . . 0.0 109.937 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.36 -12.58 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 109.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 58.5 mt-10 -99.07 -38.99 8.73 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -61.52 2.2 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.677 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.54 -35.44 74.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.752 -1.217 . . . . 0.0 110.09 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.62 -33.42 58.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.961 -1.087 . . . . 0.0 109.439 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' GLU . 45.4 tp -73.82 -32.26 63.63 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.639 HG21 HD12 ' A' ' 47' ' ' ILE . 1.2 mm -65.95 -42.24 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.422 -0.798 . . . . 0.0 109.344 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.79 -22.19 40.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.643 -0.66 . . . . 0.0 112.125 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -94.58 -23.29 17.71 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.502 -1.374 . . . . 0.0 112.787 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' OE2' HG13 ' A' ' 13' ' ' VAL . 50.9 mt-10 -130.57 -50.32 1.07 Allowed 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.839 -1.163 . . . . 0.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 28.13 0.55 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -81.63 -17.14 49.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.823 -1.173 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -98.12 -16.47 19.53 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.993 -1.067 . . . . 0.0 109.562 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.18 -33.53 6.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.586 -0.696 . . . . 0.0 109.422 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 132.72 49.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' ILE . 25.3 mp0 -49.78 135.58 19.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.81 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.739 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 36' ' ' ILE . 19.0 mt -69.55 123.74 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -120.14 -15.11 8.76 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -105.85 139.4 40.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' HG2' ' H ' ' A' ' 50' ' ' GLN . 7.5 pt20 -79.71 -23.42 42.38 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.14 -38.5 5.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 111.03 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 53' ' ' VAL . 20.3 m -74.99 -38.45 43.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -63.48 -24.88 37.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -77.98 -35.77 49.77 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -50.38 13.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.464 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.4 p -53.18 -41.04 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.601 -1.312 . . . . 0.0 108.007 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 13.3 mmm -64.85 -33.84 76.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.682 -0.637 . . . . 0.0 109.556 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -64.32 -36.55 84.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.092 -1.005 . . . . 0.0 109.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -80.45 -31.18 37.49 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.356 -0.84 . . . . 0.0 109.539 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.2 mm? -91.31 -43.59 9.7 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.216 -0.928 . . . . 0.0 111.045 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.04 111.66 0.89 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.364 -1.46 . . . . 0.0 110.019 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 62' ' ' GLU . 2.3 tm-20 -86.82 -43.09 12.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 2.9 p30 -82.97 -1.64 53.01 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.74 42.83 91.75 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 107.441 -2.264 . . . . 0.0 107.441 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 42.6 p-10 -92.97 -5.17 51.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.886 . . . . 0.0 109.809 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.42 0.78 48.83 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 90.7 mt-10 -127.56 163.19 24.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 91.3 m -127.4 101.5 6.48 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.351 -0.843 . . . . 0.0 111.865 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 8.1 t70 -55.84 -169.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -78.72 -32.81 46.98 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.048 -1.033 . . . . 0.0 110.928 -179.205 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -69.33 -38.65 78.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.13 -0.981 . . . . 0.0 110.238 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.4 tt0 -88.36 -39.1 14.59 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.198 -0.939 . . . . 0.0 109.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.2 t80 -53.75 -42.52 68.29 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.932 -1.105 . . . . 0.0 109.143 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -63.37 -41.9 98.84 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.81 -24.71 3.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.145 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.37 -48.45 41.6 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 118.888 -1.125 . . . . 0.0 108.29 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -55.89 -35.92 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 82' ' ' THR . 7.1 t -65.39 -33.86 76.96 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.936 0.874 . . . . 0.0 108.991 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.48 -27.97 61.68 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.04 -35.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -66.97 -38.41 86.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 78' ' ' SER . 16.2 p -62.5 -43.53 98.59 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.178 -0.951 . . . . 0.0 110.173 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.92 -35.35 58.25 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.311 -1.493 . . . . 0.0 108.294 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.68 -13.89 62.25 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.461 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 82' ' ' THR . 9.1 t-160 -98.27 -37.55 9.62 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.43 -0.794 . . . . 0.0 109.533 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -75.0 -45.24 43.29 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.919 -1.113 . . . . 0.0 108.823 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.41 -51.4 35.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.575 -0.703 . . . . 0.0 109.512 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.6 t80 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.705 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' B' ' 2' ' ' GLU . 17.7 mp0 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.498 0.666 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -71.9 -21.98 61.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 110.054 -179.566 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -75.8 -33.81 60.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.944 -1.098 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -70.09 -45.24 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 0.0 109.257 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.37 29.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.8 mtt -50.47 -39.81 49.1 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.316 -0.865 . . . . 0.0 109.625 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 37.9 t -73.07 -42.93 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.071 -1.018 . . . . 0.0 109.409 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.08 75.96 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.54 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 9.8 mp -80.25 -48.01 13.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.806 -1.184 . . . . 0.0 110.693 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.5 mt -44.73 -28.43 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.771 -1.206 . . . . 0.0 109.682 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.08 -51.15 9.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.505 HG21 HD23 ' A' ' 3' ' ' LEU . 19.2 t -74.15 -26.21 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 109.115 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.66 -45.33 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.07 -35.32 49.66 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.989 -1.069 . . . . 0.0 110.341 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.58 -40.65 84.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.586 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -87.44 -57.32 2.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.756 -1.215 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 4.3 t -53.35 -21.37 5.65 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.78 -1.2 . . . . 0.0 107.836 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.19 1.29 54.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.92 -42.43 89.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.742 -1.446 . . . . 0.0 108.368 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -150.64 170.45 19.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.603 -0.685 . . . . 0.0 109.205 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.04 -163.82 26.99 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -51.09 -69.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 109.279 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' B' ' 25' ' ' HIS . 29.2 tttt -171.93 -8.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.264 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.409 ' H ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.14 0.19 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.241 -0.912 . . . . 0.0 109.63 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.421 ' N ' ' OG ' ' B' ' 18' ' ' SER . 0.5 OUTLIER -135.79 141.36 44.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' CG ' ' B' ' 73' ' ' PHE . 6.7 tt -92.61 119.44 32.05 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.395 -1.441 . . . . 0.0 110.276 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.431 ' N ' HD23 ' B' ' 27' ' ' LEU . 63.6 mttm -108.66 151.32 26.32 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' B' ' 31' ' ' GLU . 24.0 ttpt -43.56 -50.43 7.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.189 -0.944 . . . . 0.0 109.908 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.55 -12.58 0.1 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.196 -0.94 . . . . 0.0 109.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 58.9 mt-10 -99.04 -38.86 8.79 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.41 -61.3 2.31 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.707 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -59.74 -35.3 74.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.722 -1.236 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.75 -33.3 58.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.87 -1.144 . . . . 0.0 109.44 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 45.6 tp -73.85 -32.5 63.69 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.627 HG21 HD12 ' B' ' 47' ' ' ILE . 1.2 mm -65.71 -42.21 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.451 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.8 -22.28 40.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.608 -0.682 . . . . 0.0 112.152 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -94.57 -23.34 17.7 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.471 -1.393 . . . . 0.0 112.828 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.434 ' OE2' HG13 ' B' ' 13' ' ' VAL . 50.1 mt-10 -130.49 -50.31 1.07 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.905 -1.122 . . . . 0.0 110.039 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 28.1 0.56 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -81.58 -17.24 49.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.848 -1.158 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -98.11 -16.45 19.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.94 -1.1 . . . . 0.0 109.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.22 -33.43 6.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 0.0 109.47 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.98 132.79 49.89 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' B' ' 47' ' ' ILE . 25.0 mp0 -49.82 135.75 19.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.078 -1.013 . . . . 0.0 109.218 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.92 90.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.42 -0.8 . . . . 0.0 109.743 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.627 HD12 HG21 ' B' ' 36' ' ' ILE . 18.8 mt -69.64 123.71 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.124 -0.985 . . . . 0.0 108.497 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -120.09 -15.13 8.78 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.93 139.13 40.95 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' B' ' 50' ' ' GLN . 7.5 pt20 -79.39 -23.62 43.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.0 -38.62 4.9 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 111.039 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 53' ' ' VAL . 20.5 m -74.95 -38.37 43.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.605 -1.309 . . . . 0.0 107.508 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.461 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -63.62 -24.85 36.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.86 -35.88 50.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.46 13.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.373 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -53.19 -41.09 41.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.724 -1.235 . . . . 0.0 107.975 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' B' ' 53' ' ' VAL . 13.9 mmm -64.94 -33.76 76.79 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.596 -0.69 . . . . 0.0 109.643 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.35 -36.5 84.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.168 -0.957 . . . . 0.0 109.099 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.1 m -80.52 -30.98 37.18 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.606 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.35 -43.69 9.61 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.144 -0.973 . . . . 0.0 110.894 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.0 111.6 0.87 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.407 -1.433 . . . . 0.0 110.08 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' B' ' 62' ' ' GLU . 2.2 tm-20 -86.92 -42.98 12.75 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.03 -1.53 52.91 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.79 42.59 91.78 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 107.435 -2.266 . . . . 0.0 107.435 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.8 p-10 -92.93 -5.24 51.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.661 -0.906 . . . . 0.0 109.894 -178.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.8 0.43 49.92 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 90.2 mt-10 -127.63 163.22 24.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 88.8 m -127.46 101.43 6.43 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.851 . . . . 0.0 111.829 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 8.1 t70 -55.85 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -78.5 -32.93 48.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.981 -1.074 . . . . 0.0 111.005 -179.288 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.32 -38.55 78.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.287 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 15.5 tt0 -88.43 -39.18 14.45 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.189 -0.944 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.567 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.3 t80 -53.7 -42.68 68.28 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.918 -1.114 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -63.19 -41.94 99.27 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 178.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.74 -24.93 3.78 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.15 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.37 -48.33 42.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.885 -1.134 . . . . 0.0 108.286 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.87 -35.73 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -65.63 -33.72 76.56 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.873 0.844 . . . . 0.0 109.011 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.56 -27.85 61.54 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -87.01 -35.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.5 m -66.97 -38.4 86.0 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' SER . 16.2 p -62.59 -43.4 98.89 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.174 -0.954 . . . . 0.0 110.174 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.59 57.03 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.356 -1.465 . . . . 0.0 108.239 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.57 -13.9 62.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.522 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' B' ' 82' ' ' THR . 9.0 t-160 -98.24 -37.69 9.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.447 -0.783 . . . . 0.0 109.489 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -74.93 -45.12 44.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.895 -1.128 . . . . 0.0 108.872 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.45 -51.49 35.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.642 -0.661 . . . . 0.0 109.516 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.624 -179.791 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.75 -27.32 40.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.055 -1.028 . . . . 0.0 109.196 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -75.01 -29.26 60.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.859 -1.15 . . . . 0.0 108.913 179.55 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -69.42 -46.49 66.68 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -54.75 35.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.473 -0.767 . . . . 0.0 110.438 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.467 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 7.3 mtm -52.96 -37.73 61.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -75.82 -42.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.958 -1.089 . . . . 0.0 108.91 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.21 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.253 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.26 -48.84 12.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.715 -1.241 . . . . 0.0 110.867 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.32 -28.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.847 -1.158 . . . . 0.0 109.536 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.28 -51.66 9.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 109.566 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -76.11 -27.05 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.067 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 25' ' ' HIS . 3.1 t80 -73.22 -43.08 61.86 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.126 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -78.04 -29.79 49.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.928 -1.108 . . . . 0.0 110.857 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -67.15 -34.33 77.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.905 -1.122 . . . . 0.0 110.282 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 29.5 m-85 -90.67 -56.58 3.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 108.802 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 3.3 t -53.37 -21.73 6.31 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.135 -0.978 . . . . 0.0 108.527 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.73 -1.9 56.32 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -60.84 -43.49 98.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.928 -1.337 . . . . 0.0 109.197 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 4.8 pt-20 -164.25 173.86 11.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -162.19 25.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.76 -82.75 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.252 -1.146 . . . . 0.0 109.521 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -171.31 -9.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.294 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' CE1' ' CE1' ' B' ' 85' ' ' HIS . 1.9 t60 -160.24 53.23 0.33 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.628 -1.295 . . . . 0.0 110.723 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' N ' ' OG ' ' A' ' 18' ' ' SER . 1.5 tppp? -136.78 147.94 46.93 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 1.8 tt -87.05 125.81 34.35 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.893 -1.129 . . . . 0.0 109.822 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -102.99 146.7 27.94 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.9 mtmt -47.17 -46.9 24.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.372 -1.455 . . . . 0.0 109.107 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -49.33 -14.03 0.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.102 -0.999 . . . . 0.0 108.977 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 88.6 mt-10 -101.93 -36.6 8.57 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -47.69 70.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.82 -1.175 . . . . 0.0 108.922 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -69.81 -37.5 76.27 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.39 -33.74 48.6 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.228 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' GLU . 15.3 tp -71.76 -32.62 67.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.29 -37.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.476 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.84 -23.72 33.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.261 -0.899 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.7 m-20 -97.97 -44.33 6.71 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.913 -1.117 . . . . 0.0 111.817 -177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' SER . 56.8 mm-40 -100.19 -70.19 0.74 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.019 -1.05 . . . . 0.0 109.918 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mt -72.37 39.33 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 108.774 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.6 t -86.75 -22.1 26.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.518 -1.364 . . . . 0.0 110.216 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -94.64 -17.49 22.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 0.0 110.235 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -109.88 -44.57 3.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.37 133.45 42.75 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.143 -0.973 . . . . 0.0 109.019 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.28 135.14 33.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.62 103.85 0.73 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.92 139.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.96 -1.087 . . . . 0.0 108.918 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -119.01 -11.08 9.71 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.26 119.06 34.54 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.605 ' NE2' ' H ' ' A' ' 51' ' ' GLU . 1.7 pm0 -58.08 -21.37 45.64 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.425 -0.797 . . . . 0.0 110.265 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 39.8 tt0 -42.12 -43.44 3.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.121 -0.987 . . . . 0.0 111.685 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.9 m -77.45 -38.26 26.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.59 -1.319 . . . . 0.0 107.953 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -24.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLN . 18.8 m-20 -76.98 -31.77 56.77 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.2 tmmt? -79.23 -53.22 7.17 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -50.1 -42.55 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 108.696 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.503 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 mmt -60.82 -30.64 70.2 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' LYS . 21.6 tt0 -67.34 -27.76 67.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.36 -0.837 . . . . 0.0 108.878 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.9 m -91.44 -32.02 15.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.448 -0.783 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.4 mm? -97.41 -45.22 6.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.11 -0.994 . . . . 0.0 111.022 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 37.4 t0 -54.92 109.38 0.51 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.209 -1.557 . . . . 0.0 109.245 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -90.67 -36.11 14.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.24 -4.54 58.52 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.05 44.27 88.26 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 13.4 p30 -102.34 -5.01 24.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.792 -0.828 . . . . 0.0 110.306 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.87 6.93 88.58 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.01 152.96 50.83 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.7 m -113.9 98.81 7.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.223 -0.923 . . . . 0.0 110.513 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.75 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.705 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.3 p90 -76.01 -31.29 58.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 111.058 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.99 -44.6 79.99 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 111.12 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -90.09 -31.73 17.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.479 -1.388 . . . . 0.0 109.455 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 8.8 t80 -54.29 -41.39 68.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.512 -1.368 . . . . 0.0 108.873 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -42.31 87.46 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.44 -21.76 4.02 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.445 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.27 -53.17 11.52 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' ' OG1' ' A' ' 81' ' ' THR . 22.0 t -53.79 -33.18 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 82' ' ' THR . 1.9 t -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.783 0.802 . . . . 0.0 108.958 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.22 -32.25 64.65 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.496 -0.752 . . . . 0.0 109.834 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -32.65 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.448 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.9 m -68.49 -36.51 79.02 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 78' ' ' SER . 11.7 p -63.7 -40.24 96.29 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.438 -0.788 . . . . 0.0 110.256 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.7 74.0 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.661 -1.274 . . . . 0.0 107.898 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.5 m -70.36 -18.95 63.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.797 ' CE1' ' CE1' ' B' ' 25' ' ' HIS . 9.5 t60 -92.72 -35.18 13.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.93 -37.65 61.96 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.337 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.54 -57.18 13.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 109.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.804 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' B' ' 3' ' ' LEU . 1.3 mm? -78.86 -27.31 44.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -74.95 -29.36 60.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.888 -1.133 . . . . 0.0 108.914 179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -69.35 -46.31 67.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -54.11 42.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.428 -0.795 . . . . 0.0 110.482 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.448 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.5 mtm -53.1 -37.7 61.94 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -75.71 -41.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.962 -1.086 . . . . 0.0 108.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.14 75.9 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.107 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.7 mp -80.1 -49.01 12.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.725 -1.234 . . . . 0.0 110.93 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.3 mt -46.03 -28.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.765 -1.21 . . . . 0.0 109.733 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.38 -51.59 9.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.112 -0.993 . . . . 0.0 109.457 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t -76.15 -26.95 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.188 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' B' ' 25' ' ' HIS . 3.0 t80 -73.39 -42.91 61.55 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.098 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -29.93 49.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.949 -1.094 . . . . 0.0 110.855 -178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -67.08 -34.24 77.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.034 -1.041 . . . . 0.0 110.305 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.5 m-85 -90.78 -56.72 3.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.03 -1.044 . . . . 0.0 108.817 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 3.3 t -53.28 -21.59 5.71 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 108.418 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.82 -1.96 56.23 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -60.79 -43.66 97.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.817 -1.402 . . . . 0.0 109.194 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 4.9 pt-20 -164.11 173.79 12.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.352 -0.842 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.67 -162.35 25.4 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.44 -82.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.357 -1.084 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.413 ' H ' ' H ' ' B' ' 25' ' ' HIS . 45.1 tptt -171.33 -9.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.402 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.797 ' CE1' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t60 -160.18 53.33 0.33 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.677 -1.264 . . . . 0.0 110.771 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.506 ' N ' ' OG ' ' B' ' 18' ' ' SER . 1.6 tppp? -137.02 147.89 46.51 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 1.8 tt -87.0 125.77 34.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.864 -1.147 . . . . 0.0 109.804 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.554 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -102.94 146.76 27.83 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' B' ' 31' ' ' GLU . 45.2 mtmt -47.23 -46.82 24.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.357 -1.464 . . . . 0.0 109.15 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -49.35 -13.95 0.09 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.14 -0.975 . . . . 0.0 109.081 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' B' ' 35' ' ' LEU . 88.7 mt-10 -101.9 -36.61 8.58 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -47.76 70.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.852 -1.155 . . . . 0.0 108.948 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -69.69 -37.75 76.73 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.17 -33.67 50.07 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.242 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 31' ' ' GLU . 15.4 tp -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.992 -1.067 . . . . 0.0 108.32 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -74.45 -36.99 43.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.428 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.91 -23.73 33.42 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.904 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 1.7 m-20 -97.88 -44.37 6.72 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.139 -0.976 . . . . 0.0 111.762 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' B' ' 41' ' ' SER . 56.6 mm-40 -100.09 -70.33 0.74 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.954 -1.091 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.39 39.33 0.08 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 108.83 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.6 t -86.69 -22.06 26.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.575 -1.328 . . . . 0.0 110.1 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -94.81 -17.58 21.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -109.82 -44.47 3.82 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.309 -0.869 . . . . 0.0 109.355 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.49 133.36 42.97 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 109.088 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.2 135.07 32.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.476 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.5 103.65 0.69 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.93 139.6 19.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 120.89 -1.131 . . . . 0.0 108.934 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -119.09 -10.97 9.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.16 118.79 33.81 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.61 ' NE2' ' H ' ' B' ' 51' ' ' GLU . 1.7 pm0 -57.84 -21.34 42.0 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.526 -0.734 . . . . 0.0 110.252 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.61 ' H ' ' NE2' ' B' ' 50' ' ' GLN . 39.9 tt0 -42.19 -43.36 3.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.078 -1.014 . . . . 0.0 111.748 -178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.425 ' H ' HG22 ' B' ' 52' ' ' VAL . 5.2 m -77.61 -37.91 25.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.622 -1.298 . . . . 0.0 107.932 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -23.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' B' ' 50' ' ' GLN . 18.5 m-20 -77.07 -31.68 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 58' ' ' GLU . 1.2 tmmt? -79.29 -53.17 7.21 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -50.18 -42.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.857 -1.152 . . . . 0.0 108.699 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.506 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 mmt -61.1 -30.55 70.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 55' ' ' LYS . 21.9 tt0 -67.46 -27.8 67.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 108.765 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.0 m -91.34 -31.95 15.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.53 -0.731 . . . . 0.0 109.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -97.48 -45.35 6.46 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.226 -0.921 . . . . 0.0 111.019 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 37.4 t0 -54.91 109.57 0.54 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.246 -1.534 . . . . 0.0 109.112 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -90.77 -36.14 14.45 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.14 -4.62 58.56 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.0 44.34 87.99 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 13.5 p30 -102.47 -4.82 24.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.782 -0.834 . . . . 0.0 110.366 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.82 6.77 88.53 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -131.83 152.88 50.7 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.506 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 52.5 m -113.69 98.69 7.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.375 -0.828 . . . . 0.0 110.627 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.356 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.3 p90 -76.0 -31.36 58.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.812 -1.18 . . . . 0.0 110.902 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.84 -44.46 80.98 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 111.172 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.6 pt-20 -90.39 -31.61 16.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.475 -1.391 . . . . 0.0 109.482 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 8.9 t80 -54.32 -41.86 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.591 -1.318 . . . . 0.0 108.839 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.95 89.52 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.86 -21.64 4.5 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.476 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -73.25 -53.22 11.43 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 81' ' ' THR . 21.8 t -53.57 -33.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 108.401 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.783 ' O ' HG23 ' B' ' 82' ' ' THR . 1.8 t -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.855 0.836 . . . . 0.0 108.985 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.06 -32.42 65.02 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.544 -0.723 . . . . 0.0 109.936 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.55 -32.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.467 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 45.3 m -68.44 -36.61 79.28 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.783 HG23 ' O ' ' B' ' 78' ' ' SER . 11.1 p -63.46 -40.43 97.1 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.357 -0.839 . . . . 0.0 110.213 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.77 74.14 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.715 -1.241 . . . . 0.0 107.931 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 m -70.26 -19.2 63.13 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.645 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 2.6 t-80 -92.5 -35.07 13.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.458 -0.777 . . . . 0.0 109.366 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.97 -37.52 61.89 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.927 -1.109 . . . . 0.0 109.439 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.78 -57.04 14.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.428 -0.795 . . . . 0.0 109.166 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.525 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.31 -22.77 61.89 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.61 -27.99 37.16 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -50.36 60.21 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.18 0.514 . . . . 0.0 110.195 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.1 mtt -49.37 -41.51 39.39 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.161 -0.962 . . . . 0.0 109.454 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.73 -42.04 62.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.572 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.2 79.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.219 -0.925 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.3 mp -78.82 -44.88 22.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.819 -1.176 . . . . 0.0 110.123 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -46.3 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.98 -1.075 . . . . 0.0 109.342 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.54 -50.95 69.31 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.7 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.416 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.2 m-85 -71.89 -43.15 65.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.089 -1.007 . . . . 0.0 109.855 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -76.85 -37.62 55.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.967 . . . . 0.0 110.582 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.8 -38.73 83.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.87 -1.144 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -87.72 -58.94 2.39 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.031 -1.043 . . . . 0.0 110.298 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -57.62 -25.01 59.5 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 108.657 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.25 3.2 58.06 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -64.06 -42.87 96.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.925 -1.338 . . . . 0.0 108.957 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.13 155.32 32.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.473 -0.767 . . . . 0.0 109.27 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.15 16.37 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.14 -80.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.305 -1.115 . . . . 0.0 109.376 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.7 tmtt? -179.06 -7.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.986 -1.071 . . . . 0.0 109.259 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.1 m-70 -152.99 46.84 0.7 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 110.553 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 11.0 ttmm -133.8 146.27 50.53 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.2 tt -87.05 126.69 34.92 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 110.235 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 27.6 mttp -108.39 149.17 29.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' GLU . 25.7 mttp -43.53 -48.38 7.44 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.998 -1.064 . . . . 0.0 109.6 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -48.45 -12.09 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 29' ' ' LYS . 48.3 mt-10 -99.57 -42.82 6.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.261 -0.899 . . . . 0.0 109.378 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -51.67 65.63 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.221 -0.924 . . . . 0.0 108.996 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -66.0 -37.78 86.8 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.218 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -77.93 -33.73 51.6 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.58 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 49.6 tp -74.01 -33.06 63.65 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.306 -0.871 . . . . 0.0 108.825 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.07 -37.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -78.45 -22.25 47.9 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.722 -0.612 . . . . 0.0 111.443 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -94.03 -43.42 8.53 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.676 -1.265 . . . . 0.0 113.382 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' SER . 85.7 mt-10 -120.53 -51.12 2.18 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.796 -1.19 . . . . 0.0 110.354 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -79.0 21.22 0.44 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.58 -17.65 53.44 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -23.76 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.36 -55.33 2.49 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 131.1 36.9 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.47 150.39 22.73 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.997 -1.064 . . . . 0.0 108.745 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.66 99.32 0.78 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.103 -0.998 . . . . 0.0 108.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.67 140.75 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.135 -0.978 . . . . 0.0 109.487 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -106.57 -15.12 14.86 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -122.41 136.23 54.85 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -70.47 -17.06 62.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.671 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -47.18 -36.3 8.53 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.979 -1.075 . . . . 0.0 111.048 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 52' ' ' VAL . 2.4 m -77.76 -37.7 24.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.622 -1.299 . . . . 0.0 107.531 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -65.13 -23.92 34.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 178.502 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -77.83 -35.68 50.98 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -52.97 10.76 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.9 p -54.03 -40.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.769 -1.207 . . . . 0.0 108.012 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.535 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 10.7 mmm -65.49 -31.21 72.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.21 -38.72 92.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.0 109.068 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.3 m -79.1 -30.84 44.05 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.451 -0.78 . . . . 0.0 109.484 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -91.08 -43.17 10.07 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.182 -0.949 . . . . 0.0 110.844 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 108.46 0.46 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.492 -1.38 . . . . 0.0 110.68 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -86.56 -43.15 12.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 31.4 p-10 -79.41 -2.05 40.01 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 43.67 84.7 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 107.767 -2.133 . . . . 0.0 107.767 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 30.6 p-10 -95.78 -5.42 41.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.629 -0.924 . . . . 0.0 109.983 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.6 -1.38 37.26 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 107.942 -2.063 . . . . 0.0 107.942 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 65' ' ' ASP . 42.3 mt-10 -122.72 160.3 26.18 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.535 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 57.3 m -126.18 96.61 4.78 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.294 -0.879 . . . . 0.0 110.955 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -52.33 -170.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.632 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -77.99 -31.75 50.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.393 -1.442 . . . . 0.0 112.038 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.67 -32.84 60.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.633 -1.292 . . . . 0.0 109.486 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 27.3 tt0 -86.54 -40.51 15.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 108.539 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.1 t80 -54.97 -39.96 69.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.198 -0.939 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 1.1 ttt -62.52 -44.33 96.63 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.65 -22.23 1.95 Allowed 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.587 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.4 -48.69 21.76 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.033 -1.042 . . . . 0.0 108.243 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.4 t -57.61 -38.44 64.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.16 -0.963 . . . . 0.0 109.226 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.75 -31.46 71.38 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.059 -1.026 . . . . 0.0 109.481 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.72 -25.45 62.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.35 -36.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.63 -35.11 70.32 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 179.378 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 78' ' ' SER . 17.7 p -63.55 -39.33 94.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 110.314 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.26 84.67 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.685 -1.259 . . . . 0.0 108.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.1 t -61.4 -15.09 33.3 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.562 -0.855 . . . . 0.0 108.772 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -100.34 -34.96 9.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.494 -0.754 . . . . 0.0 109.251 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.35 -46.59 66.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.648 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.93 -41.73 91.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.237 -0.914 . . . . 0.0 109.155 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 0.0 109.741 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.446 HD23 ' OE1' ' A' ' 39' ' ' GLU . 1.5 mm? -71.3 -22.94 61.87 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -80.4 -28.14 37.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -44.34 85.0 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.04 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.182 0.515 . . . . 0.0 110.268 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.3 mtt -49.19 -41.58 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 0.0 109.46 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.86 -42.24 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.481 -0.762 . . . . 0.0 109.451 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.2 79.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.902 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.2 mp -78.76 -44.97 22.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.875 -1.141 . . . . 0.0 110.12 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.81 -46.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.107 -0.996 . . . . 0.0 109.379 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.27 -51.15 68.87 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.305 -0.872 . . . . 0.0 109.96 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.0 110.37 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.2 m-85 -71.8 -43.29 65.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.021 -1.05 . . . . 0.0 109.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -76.82 -37.49 55.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.1 -1.0 . . . . 0.0 110.5 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -67.74 -38.91 84.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.941 -1.099 . . . . 0.0 110.23 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -87.74 -58.89 2.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.996 -1.065 . . . . 0.0 110.257 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.3 p -57.6 -24.91 58.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.915 -1.116 . . . . 0.0 108.626 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.4 3.19 57.85 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -63.89 -42.88 97.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.92 -1.341 . . . . 0.0 108.971 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.14 155.63 32.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.403 -0.81 . . . . 0.0 109.277 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.66 -162.52 16.52 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.98 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -1.074 . . . . 0.0 109.482 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.54 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.9 tmtt? -179.12 -7.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.07 -1.019 . . . . 0.0 109.316 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.6 m-70 -153.2 46.88 0.68 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.93 -1.106 . . . . 0.0 110.507 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.465 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 10.8 ttmm -133.74 146.37 50.7 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' B' ' 73' ' ' PHE . 7.2 tt -87.09 126.65 34.9 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.29 -0.882 . . . . 0.0 110.139 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 28.3 mttp -108.25 149.32 28.76 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 31' ' ' GLU . 26.8 mttp -43.93 -48.2 8.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.864 -1.148 . . . . 0.0 109.641 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -48.49 -12.06 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.359 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 35' ' ' LEU . 47.9 mt-10 -99.55 -42.84 6.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.247 -0.908 . . . . 0.0 109.377 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -51.27 66.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 108.991 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.137 -0.977 . . . . 0.0 109.19 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -77.84 -33.74 52.18 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.528 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 31' ' ' GLU . 49.9 tp -74.04 -32.96 63.55 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.341 -0.849 . . . . 0.0 108.803 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.12 -37.66 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -78.38 -22.2 48.23 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 111.242 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -94.0 -43.68 8.42 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.571 -1.33 . . . . 0.0 113.295 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' B' ' 41' ' ' SER . 85.3 mt-10 -120.49 -50.98 2.19 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.695 -1.253 . . . . 0.0 110.304 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -79.01 21.13 0.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.469 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -79.56 -17.64 53.51 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -23.94 21.86 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -102.2 -54.99 2.57 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.5 mm? -91.48 131.1 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.56 150.2 23.56 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.075 -1.016 . . . . 0.0 108.755 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.25 99.2 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.975 -1.078 . . . . 0.0 108.976 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.74 140.66 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -106.5 -15.12 14.88 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -122.35 136.16 54.85 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.46 -17.07 62.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.114 -0.991 . . . . 0.0 109.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -47.35 -36.08 9.02 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.911 -1.118 . . . . 0.0 111.028 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.405 HG22 ' H ' ' B' ' 52' ' ' VAL . 2.4 m -77.84 -37.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -65.04 -23.91 34.38 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.449 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -77.89 -35.63 50.55 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -52.76 11.36 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.6 p -54.16 -40.19 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.881 -1.137 . . . . 0.0 107.932 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.52 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 11.5 mmm -65.53 -31.15 72.06 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.29 -38.45 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.176 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -79.35 -30.53 42.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.38 -0.825 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.3 mm? -91.25 -43.27 9.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.231 -0.918 . . . . 0.0 110.864 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 7.2 m-20 -56.02 108.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.478 -1.389 . . . . 0.0 110.606 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -86.4 -43.08 13.12 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.1 p-10 -79.38 -2.16 40.42 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.38 43.61 84.88 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 30.9 p-10 -95.8 -5.4 41.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.708 -0.877 . . . . 0.0 110.095 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.37 -1.28 36.1 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 65' ' ' ASP . 41.9 mt-10 -122.67 160.06 26.61 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.52 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 56.0 m -126.05 96.49 4.75 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.239 -0.913 . . . . 0.0 111.04 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -52.28 -170.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -77.95 -31.54 50.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.452 -1.405 . . . . 0.0 112.002 -178.668 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.91 -32.57 59.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.534 -1.354 . . . . 0.0 109.648 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.442 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 27.6 tt0 -86.69 -40.56 14.96 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.608 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.537 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.2 t80 -55.02 -40.0 69.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.861 . . . . 0.0 109.223 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.51 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -62.34 -44.51 96.32 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.33 -22.5 1.85 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.585 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -75.41 -48.67 21.77 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.042 -1.036 . . . . 0.0 108.333 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' B' ' 81' ' ' THR . 21.7 t -57.64 -38.31 63.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.245 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -67.97 -31.29 70.91 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.153 -0.967 . . . . 0.0 109.517 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.7 -25.53 62.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.18 -36.43 10.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.78 -34.99 69.89 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 78' ' ' SER . 18.0 p -63.69 -39.32 94.03 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.388 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.34 84.44 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.75 -1.219 . . . . 0.0 108.669 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.28 -15.27 33.51 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.532 -0.867 . . . . 0.0 108.733 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -100.08 -35.0 9.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 109.207 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.45 -46.36 66.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.997 -1.065 . . . . 0.0 109.629 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -41.6 90.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 109.218 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.723 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' B' ' 13' ' ' VAL . 1.5 mm? -78.01 -27.12 48.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.131 -0.981 . . . . 0.0 109.836 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 2.2 tm-20 -74.1 -30.72 62.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.594 -1.316 . . . . 0.0 109.021 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -71.09 -47.12 60.01 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.99 -53.64 56.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.55 -0.719 . . . . 0.0 110.115 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 mtt -55.48 -38.74 69.52 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.1 -1.0 . . . . 0.0 109.135 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.44 -53.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.028 -1.045 . . . . 0.0 108.657 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.58 -37.73 41.49 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.736 -0.602 . . . . 0.0 110.385 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' PHE . 9.7 mp -79.33 -45.32 19.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.778 -1.201 . . . . 0.0 110.61 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HD13 ' HD1' ' B' ' 85' ' ' HIS . 3.0 mm -44.39 -35.48 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.609 -1.307 . . . . 0.0 109.918 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.85 -50.77 12.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.671 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' B' ' 3' ' ' LEU . 46.9 t -73.76 -25.7 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.231 -0.918 . . . . 0.0 109.376 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.9 t80 -66.69 -45.86 77.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.616 -0.677 . . . . 0.0 110.133 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.502 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -77.91 -40.25 40.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 0.0 110.304 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.95 -44.31 40.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.079 -1.013 . . . . 0.0 110.656 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.28 -57.73 2.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 9.2 t -48.77 -28.85 3.94 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.084 -1.01 . . . . 0.0 108.834 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.15 2.98 51.19 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.42 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -63.44 -36.39 83.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.213 -1.757 . . . . 0.0 110.683 -179.089 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 20.8 pt-20 -163.0 166.13 24.1 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.465 -1.397 . . . . 0.0 111.389 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 74.67 -136.59 21.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLY . 17.4 m-20 -54.88 -113.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.841 -0.799 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -171.99 -17.83 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.923 -1.11 . . . . 0.0 110.162 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 33.3 3.47 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.769 -1.207 . . . . 0.0 111.366 -178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 18' ' ' SER . 28.0 mtmt -143.25 150.99 40.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.892 -1.13 . . . . 0.0 108.449 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 73' ' ' PHE . 2.1 mp -95.07 138.15 33.17 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.115 0.96 . . . . 0.0 110.077 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 41.8 mttm -108.15 156.77 18.93 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.6 mttm -46.79 -47.44 20.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.988 -1.07 . . . . 0.0 109.674 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.92 -11.23 0.15 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.141 -0.975 . . . . 0.0 109.038 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 31.5 mt-10 -100.05 -35.88 9.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.387 -0.821 . . . . 0.0 108.959 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -60.75 2.74 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.1 -34.45 72.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.428 -0.795 . . . . 0.0 109.974 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -82.59 -38.73 23.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 110.437 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.5 tp -72.78 -32.11 65.35 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 47' ' ' ILE . 64.7 mt -72.49 -41.05 64.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.597 -0.69 . . . . 0.0 109.345 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.6 m-20 -82.94 -24.75 32.9 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.263 -0.898 . . . . 0.0 111.1 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.33 -43.68 7.57 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.958 -1.089 . . . . 0.0 111.291 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.8 tp10 -98.99 -66.84 0.88 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.988 -1.07 . . . . 0.0 110.328 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 2.4 mt -76.55 39.3 0.21 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 108.826 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -87.34 -17.04 33.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.912 . . . . 0.0 110.041 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.5 p80 -99.85 -27.91 13.38 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.835 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.406 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.0 m-85 -98.76 -62.35 1.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 36' ' ' ILE . 37.7 tp -76.57 137.54 39.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.022 -1.048 . . . . 0.0 108.236 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -49.39 136.72 15.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.018 -1.051 . . . . 0.0 109.877 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.7 103.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.493 -0.754 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 36' ' ' ILE . 4.0 mt -74.38 128.64 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 108.936 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -114.26 -25.34 8.5 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.712 . . . . 0.0 109.345 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -97.36 157.86 15.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.34 -0.85 . . . . 0.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -95.1 -29.55 14.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.303 -0.873 . . . . 0.0 109.787 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -52.44 -26.81 13.75 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.145 -0.972 . . . . 0.0 110.005 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.2 m -76.22 -38.92 34.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.54 -23.71 33.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 177.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.07 -35.94 56.23 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLU . 45.4 tttt -73.08 -57.66 3.87 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.24 -44.51 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.39 -38.42 80.49 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' LYS . 6.2 tp10 -64.29 -29.89 70.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 109.512 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.2 m -88.97 -27.75 20.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 75' ' ' ALA . 20.4 tp -105.2 -38.19 6.63 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 110.904 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.2 t0 -58.32 101.22 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.446 -1.409 . . . . 0.0 109.707 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.32 -31.01 16.25 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.37 -5.11 59.04 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 43.05 96.64 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.3 p-10 -103.93 -5.7 22.01 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.552 -0.97 . . . . 0.0 110.04 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.22 0.22 35.36 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 65' ' ' ASP . 80.2 mt-10 -127.5 164.86 20.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 69' ' ' ASP . 81.1 m -127.43 97.61 4.95 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.288 -0.883 . . . . 0.0 110.776 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -55.29 -163.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.715 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -74.3 -45.0 50.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.23 -1.544 . . . . 0.0 111.278 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -62.75 -29.61 70.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.88 -1.137 . . . . 0.0 110.324 -178.274 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 35.8 tt0 -92.5 -40.78 10.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.65 -1.281 . . . . 0.0 108.83 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 27' ' ' LEU . 6.2 t80 -55.26 -42.75 73.94 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.11 -0.994 . . . . 0.0 108.858 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.76 91.8 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.15 -17.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.41 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -75.14 -56.63 4.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.9 -1.125 . . . . 0.0 108.713 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.11 -33.68 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 108.642 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 8.3 t -62.72 -36.45 83.02 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.586 0.708 . . . . 0.0 109.449 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttp -72.72 -25.73 61.32 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.21 -38.03 12.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -38.14 82.78 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 30.0 p -65.87 -40.2 91.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.81 -178.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.53 89.54 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.499 -1.375 . . . . 0.0 108.323 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.16 -10.07 37.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.493 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.506 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 3.4 t-160 -101.68 -42.57 6.15 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.6 tp10 -69.55 -38.97 77.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.26 -58.3 9.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.002 . . . . 0.0 109.418 179.747 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 13' ' ' VAL . 1.6 mm? -78.55 -27.02 45.79 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.352 -0.843 . . . . 0.0 109.662 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 2.2 tm-20 -74.23 -30.9 62.38 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.703 -1.248 . . . . 0.0 108.955 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.98 -46.9 61.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.502 -0.749 . . . . 0.0 108.994 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.04 62.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 0.0 110.189 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.104 -0.997 . . . . 0.0 109.175 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.32 -53.12 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.155 -0.965 . . . . 0.0 108.644 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.09 -37.52 46.25 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.673 -0.642 . . . . 0.0 110.45 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 14' ' ' PHE . 9.7 mp -79.26 -45.33 19.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.673 -1.267 . . . . 0.0 110.535 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.474 HD13 ' HD1' ' A' ' 85' ' ' HIS . 2.9 mm -44.43 -35.43 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.583 -1.323 . . . . 0.0 109.967 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.72 -50.93 12.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.065 -1.022 . . . . 0.0 109.672 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' A' ' 3' ' ' LEU . 43.5 t -73.71 -25.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 109.529 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.9 t80 -66.71 -45.77 77.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.238 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.506 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -77.9 -40.22 40.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.98 -44.34 40.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.168 -0.957 . . . . 0.0 110.691 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.32 -57.62 2.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.113 -0.992 . . . . 0.0 109.455 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 9.3 t -48.84 -28.7 3.92 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.018 -1.051 . . . . 0.0 108.891 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.26 2.83 50.76 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.559 -0.713 . . . . 0.0 111.409 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.467 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -63.46 -36.19 82.93 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.165 -1.785 . . . . 0.0 110.67 -178.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' B' ' 20' ' ' ARG . 20.6 pt-20 -163.11 166.18 23.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.523 -1.36 . . . . 0.0 111.267 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 74.57 -136.84 21.67 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLY . 17.2 m-20 -54.79 -113.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.854 -0.792 . . . . 0.0 110.084 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -172.09 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.74 33.29 3.49 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.691 -1.256 . . . . 0.0 111.334 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.529 ' N ' ' OG ' ' B' ' 18' ' ' SER . 28.7 mtmt -143.21 150.77 39.81 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.88 -1.137 . . . . 0.0 108.447 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.2 mp -95.04 137.94 33.42 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.098 0.951 . . . . 0.0 110.049 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 41.7 mttm -108.18 156.65 19.09 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.461 ' C ' ' N ' ' B' ' 31' ' ' GLU . 55.3 mttm -46.64 -47.64 20.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.979 -1.076 . . . . 0.0 109.691 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -51.82 -11.16 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.182 -0.949 . . . . 0.0 109.025 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 28' ' ' LYS . 32.3 mt-10 -99.96 -35.84 9.59 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.46 -0.775 . . . . 0.0 109.054 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' B' ' 32' ' ' LEU . 1.0 OUTLIER -64.46 -60.97 2.53 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.31 -34.43 72.32 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.382 -0.824 . . . . 0.0 109.947 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -82.52 -38.84 23.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.214 -0.929 . . . . 0.0 110.372 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' B' ' 31' ' ' GLU . 14.2 tp -72.57 -32.59 66.14 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.561 HG21 HD12 ' B' ' 47' ' ' ILE . 62.5 mt -71.93 -41.46 68.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.608 -0.682 . . . . 0.0 109.423 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.454 ' O ' ' OG ' ' B' ' 41' ' ' SER . 15.8 m-20 -82.74 -24.79 33.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.331 -0.856 . . . . 0.0 111.15 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.19 -43.62 7.65 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.964 -1.085 . . . . 0.0 111.427 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.7 tp10 -99.19 -66.88 0.87 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.972 -1.08 . . . . 0.0 110.327 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 2.2 mt -76.27 39.31 0.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.4 -17.37 32.43 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.0 110.014 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.5 p80 -99.43 -28.2 13.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.169 -0.957 . . . . 0.0 109.82 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.415 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.0 m-85 -98.46 -62.4 1.25 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.55 137.45 39.57 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.022 -1.049 . . . . 0.0 108.249 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -49.48 136.96 15.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.065 -1.022 . . . . 0.0 109.744 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.71 103.12 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.76 . . . . 0.0 109.608 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.561 HD12 HG21 ' B' ' 36' ' ' ILE . 4.0 mt -74.31 128.78 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 108.883 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -114.51 -25.23 8.44 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.571 -0.706 . . . . 0.0 109.367 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.36 157.9 15.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.301 -0.875 . . . . 0.0 109.212 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.16 -29.46 14.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.197 -0.939 . . . . 0.0 109.747 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -52.53 -26.87 14.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.19 -0.943 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.448 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.0 m -76.01 -38.89 36.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.448 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.43 -23.91 33.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -35.73 56.94 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' GLU . 45.8 tttt -73.22 -57.86 3.72 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -45.2 -44.51 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.33 -38.53 80.57 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.016 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 55' ' ' LYS . 6.2 tp10 -64.16 -30.11 71.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 46.8 m -88.82 -27.52 21.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.613 -0.679 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' B' ' 75' ' ' ALA . 20.1 tp -105.17 -38.46 6.54 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 110.938 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -57.97 101.29 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.445 -1.41 . . . . 0.0 109.622 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.47 -30.98 16.16 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -5.11 59.05 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 42.82 96.58 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.474 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 33.8 p-10 -103.97 -5.73 21.93 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.502 -0.999 . . . . 0.0 109.848 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.31 0.38 36.96 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.018 -2.033 . . . . 0.0 108.018 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 65' ' ' ASP . 80.0 mt-10 -127.64 164.96 20.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' ASP . 83.5 m -127.53 97.52 4.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.261 -0.9 . . . . 0.0 110.779 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.2 OUTLIER -55.17 -163.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -74.6 -45.01 47.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.164 -1.585 . . . . 0.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -62.54 -29.67 70.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.101 . . . . 0.0 110.4 -178.402 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 35.5 tt0 -92.5 -40.82 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.707 -1.246 . . . . 0.0 108.768 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' B' ' 27' ' ' LEU . 6.1 t80 -55.23 -42.61 73.61 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.102 -0.999 . . . . 0.0 108.921 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -45.69 92.34 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.04 -17.79 1.17 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.463 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.91 -56.73 4.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.949 -1.095 . . . . 0.0 108.774 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.34 -33.32 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.774 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -63.28 -36.13 82.65 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.577 0.703 . . . . 0.0 109.38 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 ttp -72.79 -25.94 61.34 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.95 -38.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -67.96 -37.89 82.11 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.774 HG23 ' O ' ' B' ' 78' ' ' SER . 32.2 p -66.08 -40.14 90.59 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.027 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.34 90.12 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.584 -1.323 . . . . 0.0 108.267 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.2 -10.1 38.4 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.502 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 3.3 t-160 -101.71 -42.54 6.15 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.64 -39.03 77.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.307 -0.871 . . . . 0.0 109.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.12 -58.43 8.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.242 -0.911 . . . . 0.0 109.66 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 t80 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.114 -0.991 . . . . 0.0 109.417 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 12' ' ' ASP . 31.6 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -25.02 61.31 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.63 -0.669 . . . . 0.0 110.797 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -65.52 -50.61 64.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.726 -1.234 . . . . 0.0 108.715 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.747 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -52.91 -45.14 67.46 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.65 -56.17 23.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.826 -0.546 . . . . 0.0 111.643 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 ptp -66.41 -28.42 68.61 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.749 -1.219 . . . . 0.0 109.33 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.9 -55.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.133 -0.98 . . . . 0.0 108.778 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.27 -32.69 17.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.617 -0.677 . . . . 0.0 110.112 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' PHE . 3.5 mt -77.28 -42.93 35.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.861 -1.149 . . . . 0.0 110.237 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.24 -35.14 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 109.201 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' B' ' 2' ' ' GLU . 24.8 t70 -71.64 -50.9 26.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.93 -25.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.652 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 10.5 t80 -73.49 -47.76 38.65 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.387 -0.821 . . . . 0.0 109.763 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' HE2' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -74.98 -30.44 61.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.094 -1.003 . . . . 0.0 109.889 -179.021 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -67.49 -40.59 85.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.041 -1.037 . . . . 0.0 110.338 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -88.81 -57.69 2.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 108.636 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.511 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 m -53.37 -20.38 4.43 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.8 -3.03 56.18 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -61.19 -43.83 98.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.412 . . . . 0.0 108.477 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -162.97 171.25 16.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.773 . . . . 0.0 109.592 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.16 -167.31 23.75 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.08 -68.03 0.23 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.2 -1.176 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -41.05 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.306 -0.871 . . . . 0.0 109.653 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 9.6 m170 -133.33 64.8 1.6 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.089 -1.007 . . . . 0.0 110.81 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -144.07 149.42 36.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mp -97.59 129.28 44.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.996 -1.065 . . . . 0.0 111.039 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mtmp? -107.9 157.92 17.78 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.8 ttpt -45.53 -47.62 14.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.998 -1.064 . . . . 0.0 109.351 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 m -48.62 -15.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.26 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LYS . 29.5 mt-10 -99.19 -42.88 6.85 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.211 -0.931 . . . . 0.0 108.847 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -60.92 -51.23 70.14 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.146 -0.971 . . . . 0.0 109.428 -179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.89 -36.29 81.96 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.083 -1.011 . . . . 0.0 109.635 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.41 -30.8 42.55 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.064 -1.023 . . . . 0.0 109.761 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' GLU . 27.3 tp -71.7 -34.22 69.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.116 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 pt -78.7 -33.3 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.733 -1.23 . . . . 0.0 109.542 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.02 -22.61 45.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -97.95 -42.8 7.36 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.244 -0.91 . . . . 0.0 111.829 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' SER . 10.0 mm-40 -105.92 -67.63 0.92 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.954 -1.091 . . . . 0.0 110.535 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -74.0 35.5 0.09 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.16 -0.962 . . . . 0.0 109.499 -179.129 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.03 -20.84 26.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.119 -0.988 . . . . 0.0 109.899 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.66 -22.37 34.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.11 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.11 -45.12 3.08 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 135.63 33.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -69.37 142.37 53.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.247 -0.908 . . . . 0.0 109.362 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 111.08 6.68 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.89 129.04 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.095 -1.003 . . . . 0.0 110.252 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.62 -8.26 44.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -123.49 133.04 54.08 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -73.98 -13.69 60.91 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.215 -0.928 . . . . 0.0 108.963 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -39.15 -48.99 1.8 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.68 . . . . 0.0 112.178 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.0 m -71.33 -35.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 C-N-CA 118.286 -1.366 . . . . 0.0 107.868 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -66.68 -23.94 32.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.501 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 97.3 m-20 -79.14 -35.83 41.45 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.38 -47.44 19.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -53.45 -43.36 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -50.48 -38.63 45.02 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.83 -29.34 70.66 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 28.0 m -87.58 -28.4 21.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.474 -0.766 . . . . 0.0 109.527 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.37 -49.17 4.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.303 -0.873 . . . . 0.0 110.457 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' MET . 44.7 t0 -55.93 104.2 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.616 -1.302 . . . . 0.0 109.823 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.81 -40.56 11.72 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.4 p30 -80.5 -4.96 55.85 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.49 46.65 75.58 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 108.609 -1.796 . . . . 0.0 108.609 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 15.4 p30 -100.51 -5.32 27.12 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.372 -1.075 . . . . 0.0 110.041 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.52 -3.21 26.26 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.062 -2.015 . . . . 0.0 108.062 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 65' ' ' ASP . 36.3 mt-10 -117.77 170.1 9.06 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -122.65 88.85 3.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.465 -0.772 . . . . 0.0 109.617 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 1.5 m-20 -52.31 -175.56 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.136 -0.978 . . . . 0.0 108.611 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.7 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.2 p90 -73.15 -28.69 62.38 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.689 -1.257 . . . . 0.0 111.108 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -69.88 -47.29 63.12 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.31 -0.869 . . . . 0.0 111.853 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -87.0 -30.07 21.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.536 -1.353 . . . . 0.0 108.531 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 76' ' ' PHE . 2.0 t80 -52.69 -46.77 67.42 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.792 -1.192 . . . . 0.0 108.265 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -43.29 95.07 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -53.26 -19.35 3.1 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 30.3 t80 -72.89 -53.63 10.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.78 -1.2 . . . . 0.0 107.905 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -58.28 -32.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 82' ' ' THR . 21.9 p -59.25 -38.42 80.03 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.764 . . . . 0.0 109.285 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.8 ttm -72.12 -27.57 62.71 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.34 -39.99 19.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -66.59 -36.6 83.01 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' B' ' 70' ' ' PHE . 26.9 p -67.25 -38.96 86.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.93 -1.106 . . . . 0.0 111.271 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.92 78.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.459 -1.401 . . . . 0.0 109.019 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.1 t -61.23 -11.07 8.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.289 -0.882 . . . . 0.0 108.707 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.559 ' HE2' ' CD2' ' B' ' 15' ' ' HIS . 1.8 t-80 -105.95 -35.14 7.39 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -75.21 -45.83 37.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.143 -0.973 . . . . 0.0 109.29 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.18 -27.86 67.62 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 3.1 m-85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.174 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 32.5 mt-10 . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -24.96 61.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.647 -0.658 . . . . 0.0 110.796 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -65.65 -50.18 65.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.851 -1.156 . . . . 0.0 108.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.749 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 0.3 OUTLIER -53.32 -44.99 68.84 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.22 22.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.777 -0.577 . . . . 0.0 111.597 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.9 ptp -66.46 -28.29 68.47 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.78 -1.2 . . . . 0.0 109.329 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.89 -55.29 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.017 -1.052 . . . . 0.0 108.811 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.85 16.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.59 -0.694 . . . . 0.0 110.126 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 3.4 mt -77.29 -42.82 35.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.809 -1.182 . . . . 0.0 110.292 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -47.38 -35.05 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.756 -1.215 . . . . 0.0 109.105 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.426 ' OD2' ' OE2' ' A' ' 2' ' ' GLU . 25.0 t70 -71.64 -51.22 24.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.138 -0.976 . . . . 0.0 109.718 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -76.67 -26.04 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 10.8 t80 -73.42 -47.97 37.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.309 -0.869 . . . . 0.0 109.798 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.636 ' HE2' ' CD2' ' B' ' 25' ' ' HIS . 0.3 OUTLIER -74.88 -30.34 61.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -179.027 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -67.62 -40.46 84.66 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.068 -1.02 . . . . 0.0 110.335 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -89.04 -57.38 2.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.996 -1.065 . . . . 0.0 108.635 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 2.6 m -53.52 -20.39 4.88 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.87 -2.99 56.12 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -61.07 -43.82 98.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.843 -1.386 . . . . 0.0 108.538 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -162.91 171.01 17.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.456 -0.778 . . . . 0.0 109.634 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -167.46 23.78 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -46.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.193 -1.181 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.658 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.636 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 9.5 m170 -133.31 64.52 1.61 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.06 -1.025 . . . . 0.0 110.773 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -143.72 149.26 36.9 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' B' ' 73' ' ' PHE . 4.3 mp -97.45 129.28 44.67 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 122.299 1.047 . . . . 0.0 111.049 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 29' ' ' LYS . 2.5 mtmp? -107.96 157.78 17.92 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 31' ' ' GLU . 15.5 ttpt -45.23 -47.86 12.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.894 -1.129 . . . . 0.0 109.381 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -48.46 -15.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.244 -0.91 . . . . 0.0 109.227 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 31.5 mt-10 -99.2 -42.7 6.93 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.273 -0.892 . . . . 0.0 108.804 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.431 HD13 HG22 ' B' ' 53' ' ' VAL . 0.9 OUTLIER -61.02 -51.35 69.6 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.99 -36.26 81.77 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.996 -1.065 . . . . 0.0 109.66 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -79.35 -30.82 42.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.047 -1.033 . . . . 0.0 109.677 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.6 tp -72.01 -33.91 68.43 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.316 -0.865 . . . . 0.0 110.105 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.404 ' H ' HG12 ' B' ' 36' ' ' ILE . 3.9 pt -78.74 -33.36 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.696 -1.252 . . . . 0.0 109.545 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -78.94 -22.45 45.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -98.08 -42.96 7.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.175 -0.953 . . . . 0.0 111.822 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.8 mm-40 -105.89 -67.81 0.91 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.919 -1.113 . . . . 0.0 110.514 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -73.63 35.44 0.09 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.042 -1.037 . . . . 0.0 109.531 -179.264 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -87.04 -20.93 26.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.041 -1.037 . . . . 0.0 109.827 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.48 -22.33 35.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.062 -1.024 . . . . 0.0 109.254 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -114.23 -45.11 3.06 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.45 135.42 33.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.07 142.31 54.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.372 -0.83 . . . . 0.0 109.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 110.94 6.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.195 -0.94 . . . . 0.0 108.521 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.422 ' H ' HG23 ' B' ' 47' ' ' ILE . 1.5 pt -75.77 128.92 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.97 . . . . 0.0 110.353 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -92.65 -8.15 44.9 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -123.49 132.92 54.06 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -73.91 -13.57 60.92 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 108.938 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -39.06 -48.91 1.71 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.557 -0.714 . . . . 0.0 112.098 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 m -71.54 -35.37 56.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.484 -1.385 . . . . 0.0 107.996 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -66.65 -23.98 32.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.505 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 97.7 m-20 -79.08 -35.98 41.54 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.33 -47.66 19.4 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.7 OUTLIER -53.15 -43.31 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -50.61 -38.47 45.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.659 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -63.0 -29.35 70.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 56' ' ' VAL . 29.8 m -87.57 -28.6 21.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.438 -0.789 . . . . 0.0 109.61 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.23 -48.99 4.63 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.26 -0.9 . . . . 0.0 110.467 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 44.7 t0 -55.9 104.14 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.661 -1.274 . . . . 0.0 109.86 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -90.76 -40.57 11.74 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.3 p30 -80.63 -4.67 55.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.23 46.59 78.31 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 14.9 p30 -100.46 -5.28 27.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.248 -1.148 . . . . 0.0 110.025 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.21 -2.86 25.49 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 65' ' ' ASP . 37.1 mt-10 -117.88 169.94 9.22 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' B' ' 69' ' ' ASP . 96.2 m -122.53 89.07 3.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.393 -0.817 . . . . 0.0 109.664 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' B' ' 68' ' ' CYS . 1.4 m-20 -52.44 -175.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.9 . . . . 0.0 108.579 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.1 p90 -73.18 -28.47 62.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.807 -1.183 . . . . 0.0 111.132 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -70.15 -47.17 62.78 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.886 . . . . 0.0 111.833 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.4 pt-20 -86.98 -30.16 21.47 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.557 -1.34 . . . . 0.0 108.56 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' B' ' 27' ' ' LEU . 2.0 t80 -52.57 -46.7 66.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 108.17 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -53.38 -19.31 3.3 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 30.3 t80 -72.81 -53.57 11.16 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.835 -1.166 . . . . 0.0 107.914 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.31 -32.85 45.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.68 ' O ' HG23 ' B' ' 82' ' ' THR . 22.1 p -59.44 -38.18 80.05 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.585 0.707 . . . . 0.0 109.249 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.9 ttm -71.98 -27.85 63.03 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.27 -39.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 70.9 m -66.84 -36.56 82.63 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.7 HG21 ' CD1' ' A' ' 70' ' ' PHE . 27.0 p -67.28 -39.18 86.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.995 -1.066 . . . . 0.0 111.221 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.03 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.562 -1.336 . . . . 0.0 109.058 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 18.9 t -61.29 -10.79 7.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.772 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 t-80 -106.05 -35.03 7.38 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -75.36 -46.0 35.82 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.227 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.01 -27.85 67.76 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.095 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 3.0 m-85 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 109.124 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD11 HG11 ' B' ' 77' ' ' VAL . 21.2 tp -75.82 -24.98 55.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' CD ' ' CD1' ' B' ' 43' ' ' PHE . 17.5 tp10 -70.96 -37.14 72.78 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -40.67 96.02 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.7 -57.38 11.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.802 -0.562 . . . . 0.0 111.012 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -34.45 63.59 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.952 -1.093 . . . . 0.0 108.874 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.66 -56.48 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.973 -1.079 . . . . 0.0 108.621 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.62 59.26 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.43 0.634 . . . . 0.0 109.713 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -45.35 36.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.323 -0.86 . . . . 0.0 110.181 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -46.0 -34.97 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.901 -1.124 . . . . 0.0 108.999 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.95 -52.28 15.16 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.857 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.47 -26.71 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.034 . . . . 0.0 109.112 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -71.31 -52.45 18.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.004 -1.06 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 8.1 t-80 -71.51 -32.85 68.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 0.0 110.721 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 3.8 tp-100 -67.24 -43.34 82.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.632 -1.292 . . . . 0.0 110.28 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 45.6 m-85 -86.67 -57.2 3.08 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.762 -1.211 . . . . 0.0 109.023 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -56.34 -29.86 61.88 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.236 -0.915 . . . . 0.0 108.948 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.2 1.72 77.51 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.38 -46.64 63.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.919 -1.342 . . . . 0.0 108.812 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.64 170.55 15.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.488 -0.757 . . . . 0.0 109.928 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.76 -170.48 38.28 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.749 -1.341 . . . . 0.0 109.749 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -48.72 -64.04 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -1.146 . . . . 0.0 108.766 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.8 tmtp? -178.19 -4.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.6 m-70 -153.51 50.3 0.69 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.066 -1.021 . . . . 0.0 110.761 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -133.02 145.74 51.11 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -94.41 125.67 39.2 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.387 -0.82 . . . . 0.0 111.038 -178.453 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -110.35 157.54 19.4 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -48.8 -44.14 38.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.773 -1.204 . . . . 0.0 109.447 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 m -51.61 -18.31 1.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.97 . . . . 0.0 108.932 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 35' ' ' LEU . 61.2 mt-10 -100.99 -38.57 8.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.625 -0.672 . . . . 0.0 109.345 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -44.56 76.06 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.05 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.94 -36.24 69.85 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 108.543 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.97 -32.73 39.83 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.543 -0.723 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 30.4 tp -71.6 -34.75 70.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -70.01 -38.35 75.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -81.21 -23.31 38.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 111.492 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.36 -44.0 9.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.659 -1.276 . . . . 0.0 111.896 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -106.57 -57.74 2.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 3' ' ' LEU . 2.4 mt -81.09 34.93 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.148 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -20.18 29.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.945 -1.097 . . . . 0.0 109.532 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.72 -22.99 19.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.197 -0.939 . . . . 0.0 109.842 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CD1' ' CD ' ' B' ' 4' ' ' GLU . 41.1 m-85 -106.79 -51.8 2.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.466 -0.771 . . . . 0.0 109.71 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.2 mm? -89.57 134.38 34.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.048 -1.032 . . . . 0.0 108.803 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.629 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.9 pm0 -54.02 135.26 43.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.757 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 100.64 0.52 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.86 . . . . 0.0 109.136 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 pt -67.8 131.93 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.081 -1.012 . . . . 0.0 109.681 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -102.81 -15.06 16.36 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 mp0 -117.4 139.93 50.24 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -75.37 -16.6 60.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.33 -41.13 3.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.095 -1.003 . . . . 0.0 111.309 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.3 m -77.05 -37.94 27.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 120.71 -1.244 . . . . 0.0 107.864 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -62.1 -24.16 33.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -78.94 -35.94 42.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -72.41 -52.65 15.03 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.187 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 57' ' ' MET . 4.9 p -56.2 -41.57 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.006 -1.059 . . . . 0.0 108.442 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 17.3 mmm -63.5 -31.25 72.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.432 -0.792 . . . . 0.0 109.098 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.78 -32.16 73.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.436 -0.79 . . . . 0.0 109.535 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.7 m -88.09 -36.07 17.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.262 -0.899 . . . . 0.0 110.076 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.76 -46.96 13.51 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.083 -1.011 . . . . 0.0 110.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 43.7 t0 -55.75 108.92 0.49 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.406 -1.433 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -90.55 -45.68 8.78 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.2 p-10 -75.72 -1.55 25.43 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 44.49 85.59 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.279 -1.929 . . . . 0.0 108.279 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 52.4 p-10 -97.14 -3.57 40.85 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.376 -1.073 . . . . 0.0 109.76 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.73 0.42 68.32 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 107.896 -2.082 . . . . 0.0 107.896 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -126.29 170.69 11.63 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 4.7 m -124.65 97.16 5.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.608 -0.683 . . . . 0.0 111.138 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' CYS . 41.7 t0 -53.82 -172.72 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.683 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -78.32 -29.76 47.88 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.542 -1.349 . . . . 0.0 111.74 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.509 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.38 -37.59 65.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.749 -1.219 . . . . 0.0 111.131 -177.724 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 3.8 pt-20 -91.71 -34.39 14.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.509 -1.369 . . . . 0.0 108.909 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.6 t80 -52.56 -46.57 66.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.63 -1.294 . . . . 0.0 108.155 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.43 -21.89 2.65 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.605 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.34 -50.37 27.27 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.657 -1.277 . . . . 0.0 108.131 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.585 HG11 HD11 ' B' ' 3' ' ' LEU . 25.3 t -54.31 -36.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 82' ' ' THR . 90.0 p -71.92 -28.36 63.43 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.572 -0.705 . . . . 0.0 109.55 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 ttt -73.35 -33.29 65.02 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.56 -30.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -69.28 -38.43 78.35 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 78' ' ' SER . 7.1 p -61.13 -39.1 88.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.368 -0.832 . . . . 0.0 109.92 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.63 84.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.746 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.89 -21.72 59.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.405 -0.81 . . . . 0.0 109.505 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.518 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 4.3 t-80 -89.59 -37.95 14.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.309 -0.869 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -74.42 -35.53 63.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.142 -0.974 . . . . 0.0 109.375 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.42 -50.14 74.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.1 t80 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.582 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 77' ' ' VAL . 20.7 tp -75.73 -25.11 56.31 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.44 ' CD ' ' CD1' ' A' ' 43' ' ' PHE . 17.7 tp10 -70.93 -37.09 72.88 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -56.81 13.76 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.741 -0.6 . . . . 0.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -34.09 63.43 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.893 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.83 -56.19 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.124 -0.985 . . . . 0.0 108.574 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -30.39 60.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.703 -0.623 . . . . 0.0 109.671 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -75.9 -45.2 36.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.331 -0.856 . . . . 0.0 110.208 -179.529 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.09 -34.9 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.978 -1.076 . . . . 0.0 108.983 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.1 -52.11 15.51 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.45 -26.82 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.076 -1.015 . . . . 0.0 109.24 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.4 t80 -71.59 -52.08 19.96 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.064 -1.055 . . . . 0.0 109.769 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.518 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 8.1 t-80 -71.66 -32.75 68.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 16' ' ' GLN . 3.8 tp-100 -67.39 -43.27 81.77 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.525 -1.36 . . . . 0.0 110.273 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 45.6 m-85 -86.77 -57.27 3.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.758 -1.214 . . . . 0.0 109.069 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -56.12 -30.1 61.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.087 -1.008 . . . . 0.0 108.927 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.89 1.41 78.01 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -70.2 -46.54 64.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.379 . . . . 0.0 108.815 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.89 170.59 15.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.48 -0.763 . . . . 0.0 109.955 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.7 -170.46 38.37 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.56 -64.04 0.91 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -1.203 . . . . 0.0 108.782 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.546 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.7 tmtp? -178.23 -4.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.5 m-70 -153.43 50.46 0.7 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 110.643 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -132.97 145.79 51.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -94.57 125.49 39.25 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.3 -0.875 . . . . 0.0 111.015 -178.507 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -110.24 157.41 19.48 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' B' ' 31' ' ' GLU . 43.7 mtmt -48.69 -44.06 37.65 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.91 -1.119 . . . . 0.0 109.541 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 32.9 m -51.75 -18.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.14 -0.975 . . . . 0.0 108.921 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' LEU . 60.9 mt-10 -100.96 -38.48 8.19 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -44.53 75.73 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.137 -0.977 . . . . 0.0 109.107 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.96 -36.32 69.82 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.173 -0.954 . . . . 0.0 108.579 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.96 -32.98 39.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.583 -0.698 . . . . 0.0 109.876 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 31' ' ' GLU . 28.3 tp -71.22 -34.98 71.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.082 -1.012 . . . . 0.0 108.553 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.97 -38.18 74.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -81.15 -23.52 38.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 111.509 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.21 -44.0 9.5 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.603 -1.311 . . . . 0.0 111.948 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -106.72 -57.89 2.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.032 -1.042 . . . . 0.0 110.174 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 3' ' ' LEU . 2.6 mt -80.53 34.74 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.393 -0.817 . . . . 0.0 109.071 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -20.02 29.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 109.489 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.82 -23.03 18.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.243 -0.911 . . . . 0.0 109.822 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 4' ' ' GLU . 41.1 m-85 -106.77 -51.27 2.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.344 -0.848 . . . . 0.0 109.722 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.405 ' N ' HD22 ' B' ' 44' ' ' LEU . 4.2 mm? -90.32 134.18 34.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.971 -1.081 . . . . 0.0 108.779 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 1.9 pm0 -53.63 135.34 40.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.0 109.85 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.54 100.9 0.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.35 -0.844 . . . . 0.0 109.145 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 pt -68.01 131.75 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.076 -1.015 . . . . 0.0 109.576 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -102.79 -15.01 16.38 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' B' ' 49' ' ' GLU . 7.2 mp0 -117.47 139.97 50.22 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -75.64 -16.49 60.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -43.45 -40.85 4.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 0.0 111.337 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.07 -38.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 120.639 -1.288 . . . . 0.0 107.818 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -62.08 -24.21 33.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 106.87 -1.529 . . . . 0.0 106.87 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -78.63 -36.18 44.42 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -72.1 -52.62 15.91 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' B' ' 57' ' ' MET . 4.7 p -56.54 -41.13 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.954 -1.091 . . . . 0.0 108.432 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.553 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 17.5 mmm -63.77 -31.09 72.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.387 -0.821 . . . . 0.0 109.088 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.82 -32.37 74.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.851 . . . . 0.0 109.587 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.1 m -87.88 -36.16 17.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.345 -0.847 . . . . 0.0 110.088 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.78 -46.98 13.45 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.105 -0.997 . . . . 0.0 110.472 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 43.4 t0 -55.66 108.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.346 -1.471 . . . . 0.0 109.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -90.52 -45.81 8.72 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 16.7 p-10 -75.58 -1.47 24.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 44.47 84.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 52.7 p-10 -97.1 -3.65 40.84 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.392 -1.063 . . . . 0.0 109.7 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.29 68.95 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 107.995 -2.042 . . . . 0.0 107.995 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -126.38 170.96 11.4 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.553 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 4.4 m -124.9 96.96 5.07 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.648 -0.657 . . . . 0.0 111.252 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 68' ' ' CYS . 41.7 t0 -53.67 -172.75 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.671 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -78.13 -29.97 49.1 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.486 -1.384 . . . . 0.0 111.692 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -73.11 -37.86 66.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.807 -1.183 . . . . 0.0 111.204 -177.593 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 3.7 pt-20 -91.61 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.516 -1.365 . . . . 0.0 109.001 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -52.43 -46.61 66.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.588 -1.32 . . . . 0.0 108.165 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -44.09 91.7 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.49 -21.82 2.7 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.55 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.27 -50.28 28.37 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.586 -1.322 . . . . 0.0 108.063 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 3' ' ' LEU . 26.0 t -54.38 -36.57 34.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 97.8 p -71.91 -28.32 63.42 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.56 0.695 . . . . 0.0 109.666 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.15 -33.51 65.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 109.81 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.4 -31.08 5.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m -69.2 -38.27 78.52 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 6.9 p -61.17 -39.54 90.53 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.368 -0.833 . . . . 0.0 109.902 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.71 84.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.017 -1.052 . . . . 0.0 108.807 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.91 -21.82 59.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.525 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 4.4 t-80 -89.42 -37.94 14.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.171 -0.956 . . . . 0.0 109.341 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -74.4 -35.48 63.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.118 -0.989 . . . . 0.0 109.397 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.67 -50.12 74.78 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.365 -0.834 . . . . 0.0 109.375 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.7 t80 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.383 -0.823 . . . . 0.0 109.919 -179.607 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.721 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.6 mm? -81.19 -25.72 36.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.095 -1.003 . . . . 0.0 109.422 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.3 tt0 -76.37 -22.67 54.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.923 -1.111 . . . . 0.0 108.32 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.39 -52.05 9.79 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -54.28 35.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 0.0 110.346 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.1 mtt -55.27 -37.57 67.46 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.096 -1.002 . . . . 0.0 109.776 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 4' ' ' GLU . 72.1 t -77.5 -46.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.986 -1.071 . . . . 0.0 109.158 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -32.76 71.45 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.396 -0.815 . . . . 0.0 109.454 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.66 -48.1 14.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.009 -1.057 . . . . 0.0 110.785 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mt -45.61 -30.9 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.973 -1.08 . . . . 0.0 109.426 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -75.21 -47.63 27.32 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.214 -0.929 . . . . 0.0 108.799 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.48 -26.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.121 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -71.92 -51.69 20.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.872 . . . . 0.0 110.001 -179.314 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 2.3 t-160 -74.75 -26.37 59.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.903 -1.123 . . . . 0.0 110.689 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -67.62 -40.79 84.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.809 -1.182 . . . . 0.0 110.222 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -91.69 -58.37 2.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.875 -1.141 . . . . 0.0 109.382 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.118 -0.989 . . . . 0.0 108.45 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.45 -1.96 53.57 Favored Glycine 0 N--CA 1.497 2.712 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' NH1' ' CD ' ' A' ' 21' ' ' GLU . 66.7 ttt-85 -55.35 -38.72 69.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.873 -1.369 . . . . 0.0 109.495 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 17.6 pt-20 -166.82 172.65 10.2 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.447 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' ' HZ1' ' A' ' 28' ' ' LYS . . . 69.55 -147.93 46.16 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 5.6 m-20 -47.17 171.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.63 -0.924 . . . . 0.0 109.492 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.01 -5.08 42.09 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.402 ' C ' ' OG ' ' A' ' 18' ' ' SER . 3.7 t-80 -170.47 67.92 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.173 -1.579 . . . . 0.0 112.313 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 18' ' ' SER . 37.7 mtpt -141.7 148.21 38.71 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.537 -1.352 . . . . 0.0 107.506 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 73' ' ' PHE . 3.6 mp -95.19 134.09 38.32 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 122.215 1.007 . . . . 0.0 111.24 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 45.5 mttp -112.01 156.44 22.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 8.7 mtmp? -48.1 -38.57 17.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.731 -1.231 . . . . 0.0 108.607 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.7 m -54.29 -18.16 3.71 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 53.9 mt-10 -100.54 -42.6 6.5 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -64.49 -49.83 69.84 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.138 -0.977 . . . . 0.0 108.926 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -66.77 -38.91 87.5 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.916 -1.115 . . . . 0.0 109.147 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.98 -31.3 56.42 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.215 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' GLU . 20.3 tp -76.33 -28.66 56.97 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 108.945 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 32' ' ' LEU . 56.8 mt -76.03 -41.9 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -80.11 -23.41 41.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.61 -43.84 8.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.141 -0.974 . . . . 0.0 111.622 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.4 mm-40 -107.76 -65.57 1.1 Allowed 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.017 -1.052 . . . . 0.0 110.966 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.57 28.61 0.06 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 109.397 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -79.57 -17.66 53.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.978 -1.076 . . . . 0.0 110.702 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.94 -25.25 16.62 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.851 -1.156 . . . . 0.0 110.299 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -108.98 -28.36 9.15 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.254 -0.904 . . . . 0.0 109.168 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -113.04 127.26 56.17 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.7 pm0 -49.49 132.11 20.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.404 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.07 100.79 0.79 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 0.0 108.848 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 pt -63.39 138.94 22.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 109.845 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -106.7 -17.68 14.16 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -115.96 136.44 53.03 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.4 -18.55 60.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.151 -0.968 . . . . 0.0 109.711 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -45.04 -38.62 5.04 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 111.183 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.1 m -77.28 -38.36 26.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 120.701 -1.249 . . . . 0.0 107.671 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -25.03 35.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 178.83 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.35 -29.99 42.47 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HZ3' ' N ' ' A' ' 56' ' ' VAL . 1.4 ttpm? -77.75 -55.78 5.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.638 ' N ' ' HZ3' ' A' ' 55' ' ' LYS . 2.5 p -51.84 -42.82 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 53' ' ' VAL . 10.1 mtp -61.75 -31.66 71.86 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 23.4 tt0 -67.11 -27.6 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.5 m -87.45 -28.12 22.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.606 -0.684 . . . . 0.0 109.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -99.24 -41.81 7.31 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.32 -0.863 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' MET . 6.2 m-20 -55.47 108.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.475 -1.391 . . . . 0.0 110.03 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -90.03 -42.53 11.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 20.9 p-10 -79.09 -2.81 42.32 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.66 45.69 93.02 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -94.41 -5.19 46.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 109.546 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.99 4.1 58.01 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.371 -1.891 . . . . 0.0 108.371 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -125.69 175.0 7.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 69' ' ' ASP . 90.3 m -127.16 90.62 3.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' CYS . 6.8 m-20 -53.4 -169.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.82 -55.84 5.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.314 -1.491 . . . . 0.0 111.145 -178.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.34 -29.52 48.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -88.79 -42.43 11.91 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.964 -1.085 . . . . 0.0 108.677 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 2.2 t80 -59.22 -37.84 78.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.24 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.05 86.73 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.0 -18.55 1.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 80' ' ' VAL . 21.9 t80 -74.92 -55.48 5.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.86 -1.15 . . . . 0.0 109.029 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.449 ' O ' ' OG1' ' A' ' 81' ' ' THR . 55.8 t -54.67 -30.95 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.826 -1.171 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.788 ' O ' HG23 ' A' ' 82' ' ' THR . 9.0 t -67.19 -34.79 78.26 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.35 -0.844 . . . . 0.0 109.277 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.02 -28.91 60.68 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.458 -0.776 . . . . 0.0 109.511 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -87.5 -31.56 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 178.184 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.492 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.5 m -73.79 -35.74 64.96 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 78' ' ' SER . 21.0 p -68.14 -37.26 80.88 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.163 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.92 74.78 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.777 -1.202 . . . . 0.0 108.509 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.27 -22.23 51.76 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CE1' ' ND1' ' B' ' 15' ' ' HIS . 10.6 t60 -92.76 -35.46 13.43 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . 10.1 tp10 -66.13 -50.64 63.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 0.0 109.312 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.48 -34.66 75.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 108.836 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.561 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.721 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.6 mm? -81.16 -25.88 36.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.093 -1.004 . . . . 0.0 109.34 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 24.5 tt0 -76.19 -22.86 54.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 108.302 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -77.27 -51.96 10.01 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.54 31.48 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 110.364 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 6.0 mtt -54.92 -37.57 66.56 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.157 -0.964 . . . . 0.0 109.771 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' GLU . 71.4 t -77.58 -46.06 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.942 -1.099 . . . . 0.0 109.085 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.87 71.42 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.519 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -79.65 -47.98 14.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.956 -178.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -45.82 -30.8 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.97 -1.081 . . . . 0.0 109.332 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.09 -47.65 27.7 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 108.856 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.66 -26.44 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.35 -0.844 . . . . 0.0 109.068 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -71.74 -51.92 20.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.261 -0.899 . . . . 0.0 110.019 -179.402 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 2.3 t-160 -74.53 -26.19 59.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.848 -1.158 . . . . 0.0 110.74 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.86 -40.69 83.6 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.764 -1.21 . . . . 0.0 110.165 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.904 -1.122 . . . . 0.0 109.373 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -52.58 -22.85 5.43 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.366 179.376 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.41 -1.87 53.66 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CD ' ' B' ' 21' ' ' GLU . 66.8 ttt-85 -55.41 -38.76 69.34 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.862 -1.375 . . . . 0.0 109.514 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 17.2 pt-20 -166.71 172.76 10.24 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.461 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.462 ' HA3' ' HZ1' ' B' ' 28' ' ' LYS . . . 69.44 -147.93 46.33 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 5.6 m-20 -47.04 171.84 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.582 -0.952 . . . . 0.0 109.549 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -74.97 -5.15 42.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.618 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' C ' ' OG ' ' B' ' 18' ' ' SER . 3.8 t-80 -170.54 67.89 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.179 -1.575 . . . . 0.0 112.269 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' N ' ' OG ' ' B' ' 18' ' ' SER . 37.7 mtpt -141.65 148.39 39.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.548 -1.345 . . . . 0.0 107.616 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' B' ' 73' ' ' PHE . 3.5 mp -95.25 134.13 38.36 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 122.281 1.038 . . . . 0.0 111.239 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 45.9 mttp -112.05 156.37 22.32 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 8.6 mtmp? -47.87 -38.86 17.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.642 -1.286 . . . . 0.0 108.61 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -18.13 3.72 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' B' ' 35' ' ' LEU . 53.4 mt-10 -100.63 -42.42 6.54 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.73 -50.02 68.54 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.389 -0.924 . . . . 0.0 108.838 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.43 -38.98 88.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.844 -1.16 . . . . 0.0 109.133 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.91 -31.42 56.67 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.312 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 31' ' ' GLU . 19.7 tp -76.32 -28.78 57.05 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.203 -0.935 . . . . 0.0 108.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 32' ' ' LEU . 57.0 mt -75.99 -41.65 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.433 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -80.22 -23.38 40.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 110.198 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -92.53 -44.02 8.85 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.096 -1.002 . . . . 0.0 111.633 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.3 mm-40 -107.52 -65.61 1.09 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -72.47 28.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.443 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.1 p -79.57 -17.6 53.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 110.697 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.89 -25.1 16.71 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.903 -1.123 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -109.0 -28.54 9.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.245 -0.909 . . . . 0.0 109.193 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.85 127.29 56.14 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.632 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 4.7 pm0 -49.52 132.05 21.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.357 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.08 100.84 0.8 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 108.798 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 pt -63.35 138.87 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.959 -1.088 . . . . 0.0 109.767 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.7 -17.77 14.14 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.8 136.42 53.07 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.44 -18.4 60.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.23 -0.919 . . . . 0.0 109.683 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -45.05 -38.61 5.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.025 -1.047 . . . . 0.0 111.303 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.1 m -77.18 -38.59 27.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.442 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -24.92 35.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -79.51 -29.81 41.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.684 ' HZ3' ' N ' ' B' ' 56' ' ' VAL . 1.4 ttpm? -77.83 -55.83 5.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.684 ' N ' ' HZ3' ' B' ' 55' ' ' LYS . 2.5 p -51.78 -42.74 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.503 ' O ' ' N ' ' B' ' 61' ' ' ASP . 10.1 mtp -61.8 -31.63 71.86 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 55' ' ' LYS . 23.3 tt0 -67.11 -27.86 67.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -87.13 -28.18 22.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.28 -41.89 7.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.36 -0.838 . . . . 0.0 110.745 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 57' ' ' MET . 6.2 m-20 -55.47 108.86 0.47 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.505 -1.372 . . . . 0.0 109.989 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -89.96 -42.82 10.96 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 21.1 p-10 -78.87 -2.52 40.17 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.33 45.87 92.37 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -94.46 -5.28 46.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.447 -1.031 . . . . 0.0 109.552 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.03 4.21 58.5 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -125.84 174.97 7.98 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' B' ' 69' ' ' ASP . 89.1 m -127.19 90.58 3.16 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.246 -0.909 . . . . 0.0 110.513 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 68' ' ' CYS . 7.0 m-20 -53.33 -169.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.92 -55.81 5.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.418 -1.426 . . . . 0.0 111.179 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.26 -29.43 46.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.895 -1.128 . . . . 0.0 110.363 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -88.88 -42.4 11.87 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 108.691 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 2.2 t80 -59.29 -37.81 78.62 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.282 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.1 86.54 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.95 -18.6 1.41 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.581 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.456 ' O ' HG13 ' B' ' 80' ' ' VAL . 22.0 t80 -74.84 -55.41 5.84 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.845 -1.159 . . . . 0.0 109.089 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.451 ' O ' ' OG1' ' B' ' 81' ' ' THR . 55.1 t -54.69 -30.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.785 ' O ' HG23 ' B' ' 82' ' ' THR . 9.5 t -67.28 -34.83 78.24 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.268 -0.895 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -74.87 -29.16 60.93 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.427 -0.796 . . . . 0.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.456 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -87.19 -31.78 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.132 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 43.8 m -73.78 -35.48 64.95 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.785 HG23 ' O ' ' B' ' 78' ' ' SER . 20.6 p -68.39 -37.21 80.17 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.183 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.15 74.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.628 -1.295 . . . . 0.0 108.473 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 -22.17 49.4 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.401 ' CE1' ' ND1' ' A' ' 15' ' ' HIS . 11.0 t60 -92.8 -35.54 13.35 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.1 tp10 -66.02 -50.52 63.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 0.0 109.423 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -61.58 -34.51 75.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.333 -0.855 . . . . 0.0 108.84 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.827 HD13 HD21 ' B' ' 40' ' ' LEU . 3.7 mt -75.71 -23.05 56.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 0.0 109.319 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.65 -28.26 33.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.977 -1.077 . . . . 0.0 108.758 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.33 -44.72 67.62 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.34 -46.79 84.99 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.415 -0.803 . . . . 0.0 109.362 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.0 mtt -53.83 -43.02 69.1 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 109.026 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.26 -51.91 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.356 -0.84 . . . . 0.0 109.881 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -31.3 64.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.406 -0.808 . . . . 0.0 110.26 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 14' ' ' PHE . 2.5 mt -79.18 -45.79 19.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.818 -1.176 . . . . 0.0 110.789 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -46.98 -33.85 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.901 -1.125 . . . . 0.0 109.66 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.34 -51.96 13.61 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.072 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.39 -25.46 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 0.0 109.328 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.9 t80 -69.61 -45.26 68.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.218 -0.926 . . . . 0.0 110.234 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.87 51.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.974 -1.079 . . . . 0.0 111.087 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.77 -42.32 81.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.856 -1.152 . . . . 0.0 111.099 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' GLY . 43.6 m-85 -84.51 -59.46 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.596 -1.315 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -52.22 -20.39 2.6 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.783 -1.198 . . . . 0.0 107.963 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' TYR . . . -99.54 4.78 58.31 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -74.61 -49.09 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.734 -1.451 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 6.0 tt0 -135.02 162.98 30.92 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.227 -0.921 . . . . 0.0 110.025 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 84.0 -172.96 50.19 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.94 34.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -1.148 . . . . 0.0 108.376 178.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 22' ' ' GLY . 21.0 pttm 45.59 171.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.905 0.859 . . . . 0.0 111.703 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 64.61 0.26 1.09 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.611 -0.681 . . . . 0.0 109.434 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 21.4 mmtt -125.42 142.83 51.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 28' ' ' LYS . 1.6 tm? -89.36 120.8 31.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.354 -0.841 . . . . 0.0 109.669 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.28 148.02 26.83 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' GLU . 33.9 mtmm -46.19 -47.38 17.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.526 -1.359 . . . . 0.0 109.738 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -51.99 -12.39 0.22 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mt-10 -102.86 -37.97 7.61 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -61.58 2.22 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -58.72 -39.0 79.57 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.973 -1.079 . . . . 0.0 109.626 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -76.43 -30.63 57.47 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.206 -0.934 . . . . 0.0 110.453 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' GLU . 56.4 tp -74.66 -33.11 62.43 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.064 -1.023 . . . . 0.0 108.245 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 47' ' ' ILE . 1.5 mm -69.53 -43.73 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.639 -0.663 . . . . 0.0 109.739 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.4 t-20 -84.57 -25.38 28.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.326 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.47 -46.99 9.11 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.553 -1.342 . . . . 0.0 111.982 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.0 tt0 -104.19 -57.49 2.02 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.874 -1.141 . . . . 0.0 110.601 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.846 HD21 HD13 ' B' ' 3' ' ' LEU . 7.6 mt -76.18 32.75 0.12 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.108 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.39 -16.66 36.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.016 -1.052 . . . . 0.0 110.366 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.13 -20.48 15.97 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.947 -1.096 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.56 -47.4 3.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.495 -0.753 . . . . 0.0 109.457 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.56 139.23 35.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -47.33 128.9 12.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.3 -0.875 . . . . 0.0 109.602 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.5 mp0 -58.54 100.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.191 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' A' ' 36' ' ' ILE . 8.7 mt -65.58 124.55 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -0.965 . . . . 0.0 108.501 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -112.84 -21.82 10.98 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.24 150.55 20.79 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.13 -27.81 16.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.115 -0.99 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -51.53 -29.8 18.12 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 0.0 110.325 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.1 -37.07 39.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.756 -1.215 . . . . 0.0 108.017 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -23.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.55 -34.05 60.69 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.15 -49.35 14.01 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -40.46 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 3.0 mmt -64.09 -27.69 69.27 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -65.86 -37.07 85.21 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.3 m -83.93 -28.59 27.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.469 -0.77 . . . . 0.0 109.311 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.5 mm? -95.05 -47.25 6.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.253 -0.904 . . . . 0.0 110.929 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.2 t0 -57.26 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.964 -1.71 . . . . 0.0 109.569 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 60' ' ' LEU . 14.3 tp10 -91.27 -29.95 16.89 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.5 p-10 -82.73 -5.05 58.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.0 45.59 96.3 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.2 p-10 -103.47 -6.17 22.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.502 -0.999 . . . . 0.0 109.265 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.92 -5.21 6.49 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.416 -1.873 . . . . 0.0 108.416 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 65' ' ' ASP . 47.7 mt-10 -122.35 170.61 9.76 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.508 ' O ' ' O ' ' A' ' 69' ' ' ASP . 54.9 m -127.33 94.57 4.03 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.35 -173.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.5 p90 -69.95 -30.31 67.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.412 -1.43 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -77.5 -28.99 52.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.078 . . . . 0.0 110.538 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -91.41 -41.61 10.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.617 -1.302 . . . . 0.0 109.948 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.48 -39.23 83.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.852 -1.155 . . . . 0.0 108.382 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.47 ' SD ' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -76.0 -16.18 60.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.17 -0.956 . . . . 0.0 108.455 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.04 -24.13 61.49 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.45 -41.9 60.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.458 -0.776 . . . . 0.0 109.42 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.71 -39.88 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 118.463 -1.295 . . . . 0.0 107.563 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 21.5 p -63.58 -37.68 88.24 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.412 ' SD ' HD21 ' A' ' 60' ' ' LEU . 2.4 ttp -68.57 -25.74 65.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -83.44 -37.91 13.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.2 m -64.83 -40.8 95.76 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 35.8 p -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.169 -0.957 . . . . 0.0 110.632 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.8 -28.89 52.59 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.839 -1.163 . . . . 0.0 108.171 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 m -80.8 -10.73 59.7 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.45 -41.95 5.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.606 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -79.51 -30.91 42.1 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.777 -1.202 . . . . 0.0 110.243 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.21 -47.99 69.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.096 -1.002 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 121.15 -0.969 . . . . 0.0 109.451 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.846 HD13 HD21 ' A' ' 40' ' ' LEU . 3.7 mt -75.56 -23.08 56.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.0 109.299 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.69 -28.29 33.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.92 -1.112 . . . . 0.0 108.781 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.35 -44.69 67.62 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.52 85.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.6 mtt -54.03 -42.76 69.52 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.088 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.47 -51.91 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.405 -0.809 . . . . 0.0 109.834 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.39 63.84 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.416 -0.802 . . . . 0.0 110.223 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.464 HD13 ' SD ' ' B' ' 74' ' ' MET . 2.4 mt -79.19 -45.89 18.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.805 -1.185 . . . . 0.0 110.781 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -46.88 -33.91 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.975 -1.078 . . . . 0.0 109.618 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -74.33 -51.99 13.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.174 -0.954 . . . . 0.0 109.969 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.31 -25.62 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 109.209 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.9 t80 -69.53 -45.37 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.235 -0.915 . . . . 0.0 110.224 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.82 51.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.974 -1.079 . . . . 0.0 111.047 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.91 -42.19 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.927 -1.108 . . . . 0.0 111.118 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' B' ' 31' ' ' GLU . 43.3 m-85 -84.5 -59.39 2.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.546 -1.346 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -52.31 -20.38 2.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.778 -1.201 . . . . 0.0 107.924 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 5.03 58.29 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -74.76 -49.14 22.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.686 -1.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.404 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 6.0 tt0 -134.9 162.97 30.91 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.13 -0.981 . . . . 0.0 109.995 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 83.97 -172.99 50.26 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -74.86 34.33 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -1.099 . . . . 0.0 108.37 179.09 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' B' ' 22' ' ' GLY . 21.0 pttm 45.65 171.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.886 0.851 . . . . 0.0 111.755 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 64.55 0.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.659 -0.65 . . . . 0.0 109.382 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 21.0 mmtt -125.4 142.85 51.27 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 28' ' ' LYS . 1.6 tm? -89.27 120.73 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 109.704 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.588 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -104.26 148.15 26.67 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' B' ' 31' ' ' GLU . 33.8 mtmm -46.11 -47.41 17.32 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.509 -1.37 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.7 m -51.99 -12.41 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.218 -0.926 . . . . 0.0 110.079 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 35' ' ' LEU . 15.3 mt-10 -102.81 -38.06 7.59 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -61.74 2.12 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -58.54 -39.04 79.07 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.894 -1.128 . . . . 0.0 109.666 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -76.39 -30.57 57.56 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.478 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' ' 31' ' ' GLU . 56.7 tp -74.84 -32.97 62.08 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' B' ' 47' ' ' ILE . 1.5 mm -69.61 -43.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.58 -0.7 . . . . 0.0 109.755 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 16.6 t-20 -84.46 -25.35 28.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 111.338 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.5 -47.0 9.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.551 -1.343 . . . . 0.0 111.989 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' B' ' 41' ' ' SER . 39.7 tt0 -104.19 -57.5 2.02 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.875 -1.141 . . . . 0.0 110.602 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 3' ' ' LEU . 7.7 mt -76.21 32.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.162 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.448 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.43 -16.67 36.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.943 -1.098 . . . . 0.0 110.32 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -100.08 -20.52 15.98 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.875 -1.141 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.61 -47.39 3.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.399 -0.813 . . . . 0.0 109.425 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -99.44 139.2 35.44 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -47.32 128.93 12.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.5 mp0 -58.44 100.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.555 -0.715 . . . . 0.0 110.225 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' B' ' 36' ' ' ILE . 8.9 mt -65.57 124.53 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 108.518 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -112.8 -21.88 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.25 150.6 20.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -93.12 -27.88 16.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.139 -0.975 . . . . 0.0 109.511 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -51.65 -29.6 18.45 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.392 -0.817 . . . . 0.0 110.382 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.23 -37.08 38.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.78 -1.2 . . . . 0.0 108.026 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -23.86 30.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.64 -34.03 60.51 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.02 -49.39 14.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -40.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' ASP . 3.0 mmt -64.19 -27.62 69.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.94 -37.04 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.0 108.635 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.2 m -83.9 -28.64 27.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.577 -0.702 . . . . 0.0 109.303 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 62' ' ' GLU . 4.5 mm? -94.93 -47.44 6.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 110.971 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.1 t0 -57.28 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.99 -1.694 . . . . 0.0 109.575 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 60' ' ' LEU . 14.4 tp10 -91.17 -30.1 16.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.7 p-10 -82.64 -5.08 58.63 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.04 45.56 96.35 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 67' ' ' GLU . 38.3 p-10 -103.47 -6.1 22.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.437 -1.037 . . . . 0.0 109.346 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.405 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.74 -5.11 6.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' B' ' 65' ' ' ASP . 47.4 mt-10 -122.31 170.45 9.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 54.9 m -127.29 94.66 4.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.089 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.3 OUTLIER -50.28 -173.31 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.73 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.5 p90 -69.8 -30.44 67.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.368 -1.457 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.39 -29.06 52.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.983 -1.073 . . . . 0.0 110.574 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.38 -41.78 10.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.631 -1.293 . . . . 0.0 109.976 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.45 -39.18 82.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.807 -1.183 . . . . 0.0 108.365 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.464 ' SD ' HD13 ' B' ' 10' ' ' LEU . 6.9 ttt -76.01 -16.08 60.03 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.058 -1.026 . . . . 0.0 108.421 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.18 -24.01 61.36 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -74.62 -42.14 59.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.488 -0.757 . . . . 0.0 109.329 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.47 -39.75 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 118.451 -1.3 . . . . 0.0 107.669 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 20.8 p -63.63 -37.77 88.58 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.4 ' SD ' HD21 ' B' ' 60' ' ' LEU . 2.4 ttp -68.61 -25.7 64.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.42 -37.8 13.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 m -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 35.5 p -59.85 -45.16 93.3 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.278 -0.889 . . . . 0.0 110.635 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.83 52.0 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 120.837 -1.164 . . . . 0.0 108.149 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.84 -10.79 59.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.39 -41.84 5.4 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.237 -0.915 . . . . 0.0 110.717 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -79.58 -30.89 41.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.819 -1.176 . . . . 0.0 110.177 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.29 -47.98 69.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.039 -1.038 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.25 -18.36 63.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.419 -0.8 . . . . 0.0 109.733 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -74.18 -28.3 61.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.197 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -69.27 -45.94 68.45 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.31 20.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.729 -0.607 . . . . 0.0 111.087 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -52.38 -38.59 59.25 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.173 -0.954 . . . . 0.0 110.511 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -77.05 -41.48 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.778 -1.201 . . . . 0.0 109.465 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.91 77.99 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.399 -0.813 . . . . 0.0 109.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 10.0 mp -79.84 -47.62 14.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.919 -1.113 . . . . 0.0 110.77 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mt -45.29 -32.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.745 -1.222 . . . . 0.0 109.982 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.84 -52.13 9.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.0 109.7 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.73 -25.7 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -64.38 -58.43 6.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.45 -0.782 . . . . 0.0 110.59 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.61 -26.36 37.84 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.74 -1.225 . . . . 0.0 111.262 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -59.51 -41.69 90.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.439 -1.413 . . . . 0.0 109.049 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.91 -42.76 32.11 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 108.851 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -59.31 -40.03 84.96 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.01 6.19 72.34 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -67.73 -50.97 54.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.77 -1.43 . . . . 0.0 108.58 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -156.08 161.21 40.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.323 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.73 -167.94 32.85 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.0 128.02 34.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.486 -1.008 . . . . 0.0 110.219 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 44.9 pttt -74.82 170.73 15.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.513 -0.742 . . . . 0.0 109.863 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 15.4 t-80 82.9 -7.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.962 -0.461 . . . . 0.0 110.396 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -135.05 146.75 49.26 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.268 -0.895 . . . . 0.0 108.623 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.9 mp -93.81 134.91 35.66 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.981 0.896 . . . . 0.0 108.748 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' GLU . 31.1 mttm -109.57 158.91 17.55 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mtmm -45.95 -47.55 16.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.003 -1.061 . . . . 0.0 109.367 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -51.41 -16.49 0.57 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.186 -0.946 . . . . 0.0 108.66 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 33.2 mt-10 -99.77 -44.66 6.01 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -61.94 -54.02 47.68 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.225 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -66.0 -35.71 81.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.752 -1.217 . . . . 0.0 109.499 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.84 -32.16 46.03 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.983 -1.073 . . . . 0.0 109.899 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.6 tp -71.41 -34.99 70.83 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HD12 ' A' ' 47' ' ' ILE . 61.7 mt -67.36 -39.92 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.34 -22.78 38.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.538 -0.726 . . . . 0.0 111.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.77 -43.99 7.27 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.875 -1.141 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 41' ' ' SER . 17.3 mp0 -105.53 -63.98 1.19 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.85 -1.157 . . . . 0.0 110.013 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.95 33.79 0.08 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -88.49 -19.57 26.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.88 -1.137 . . . . 0.0 110.708 -179.435 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -91.87 -26.36 18.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.929 -1.107 . . . . 0.0 109.308 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -103.02 -50.27 3.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.438 -0.789 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.79 136.93 32.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.962 -1.086 . . . . 0.0 108.522 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 47' ' ' ILE . 23.2 tt0 -49.36 134.93 18.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.0 109.758 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.65 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.0 pm0 -56.0 82.11 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.608 -0.682 . . . . 0.0 109.834 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.542 HD12 HD13 ' A' ' 36' ' ' ILE . 9.1 mt -55.89 125.0 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.342 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -113.38 -18.38 12.04 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -100.15 152.94 19.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 108.941 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.3 -26.52 17.28 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.27 -0.894 . . . . 0.0 110.227 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.45 -34.81 5.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.935 . . . . 0.0 111.094 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' VAL . 27.7 m -74.5 -38.34 45.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.738 -1.226 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -66.49 -22.99 30.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.398 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.76 35.58 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -34.03 23.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.473 -0.767 . . . . 0.0 108.988 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.8 OUTLIER -62.41 -42.91 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.047 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.5 mtt -60.0 -35.24 74.62 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -62.06 -30.27 70.87 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.04 -1.038 . . . . 0.0 108.732 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.8 m -88.54 -29.23 20.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.679 -0.638 . . . . 0.0 109.806 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -101.08 -42.45 6.37 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.0 t0 -55.87 104.93 0.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.334 -1.479 . . . . 0.0 110.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' B' ' 62' ' ' GLU . 57.4 tt0 -90.85 -45.04 9.03 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 7.4 p30 -77.9 -2.98 39.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.26 44.02 97.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -96.17 -4.79 41.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.47 -1.017 . . . . 0.0 109.842 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.85 7.71 50.14 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.339 -1.904 . . . . 0.0 108.339 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -129.03 173.11 10.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -127.44 91.54 3.33 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.396 -0.815 . . . . 0.0 110.84 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.499 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 41.6 t0 -54.11 -167.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.703 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -77.84 -30.52 51.07 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.461 -1.399 . . . . 0.0 111.334 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 2.7 pp0? -75.58 -33.27 60.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.832 -1.168 . . . . 0.0 110.524 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 50.2 tt0 -87.23 -38.03 16.7 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.841 -1.162 . . . . 0.0 108.212 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.5 t80 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 109.052 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -77.11 -17.04 58.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.55 -18.97 50.61 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 176.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 80' ' ' VAL . 20.6 t80 -74.73 -54.28 7.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.97 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 66.9 t -52.57 -33.83 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.111 -0.993 . . . . 0.0 108.525 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -66.93 -35.17 79.39 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -72.42 -29.3 63.58 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.813 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -88.43 -31.62 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.195 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 48.7 m -74.73 -36.1 62.65 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' SER . 16.7 p -66.25 -37.14 84.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.024 -1.048 . . . . 0.0 110.21 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.92 76.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.768 -1.207 . . . . 0.0 108.555 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.75 -44.91 80.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 108.94 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.66 -28.04 63.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.352 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -68.27 -50.32 54.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 108.992 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.55 -45.93 77.19 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.367 -0.833 . . . . 0.0 109.715 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.34 -18.59 63.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -74.12 -28.28 61.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.876 -1.14 . . . . 0.0 108.183 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.24 -45.81 68.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 -55.3 20.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.816 -0.552 . . . . 0.0 111.072 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.425 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.6 mtt -52.35 -38.58 59.1 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.194 -0.941 . . . . 0.0 110.565 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.2 -41.31 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.203 . . . . 0.0 109.418 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.85 78.18 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.385 -0.822 . . . . 0.0 109.929 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 10.0 mp -79.9 -47.49 14.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.895 -1.128 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mt -45.26 -32.77 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.629 -1.294 . . . . 0.0 109.972 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.69 -52.4 9.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.047 -1.033 . . . . 0.0 109.731 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.81 -25.56 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.1 t80 -64.33 -58.39 6.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.494 -0.754 . . . . 0.0 110.627 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.71 -26.5 37.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.808 -1.182 . . . . 0.0 111.169 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -59.35 -41.71 89.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.398 -1.439 . . . . 0.0 109.015 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HH ' ' HB2' ' B' ' 38' ' ' ASN . 12.8 m-85 -77.88 -42.62 32.73 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 108.861 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -59.53 -39.99 85.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.92 6.13 72.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.84 -50.79 54.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.935 -1.333 . . . . 0.0 108.631 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -156.04 161.03 40.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.501 -0.749 . . . . 0.0 110.367 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.82 -167.91 33.27 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.08 128.0 34.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.453 -1.028 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 46.5 pttt -74.74 170.69 15.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.947 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 15.6 t-80 82.87 -6.87 1.25 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.961 -0.462 . . . . 0.0 110.479 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -135.16 146.67 48.98 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.1 mp -93.61 134.91 35.41 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.968 0.89 . . . . 0.0 108.899 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' GLU . 32.8 mttm -109.62 158.73 17.76 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' B' ' 31' ' ' GLU . 27.6 mtmm -45.83 -47.37 15.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.951 -1.093 . . . . 0.0 109.389 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -51.43 -16.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.134 -0.978 . . . . 0.0 108.646 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 28' ' ' LYS . 33.6 mt-10 -99.73 -44.66 6.02 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -61.84 -54.02 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.083 -1.01 . . . . 0.0 109.179 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -66.12 -35.74 81.31 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.795 -1.19 . . . . 0.0 109.427 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.76 -32.15 46.48 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.032 -1.042 . . . . 0.0 109.928 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 12.4 tp -71.4 -35.03 70.88 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD12 ' B' ' 47' ' ' ILE . 60.7 mt -67.42 -39.88 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.39 -22.6 38.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.664 -0.648 . . . . 0.0 111.327 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.421 ' HB2' ' HH ' ' B' ' 17' ' ' TYR . 4.4 m-20 -96.8 -43.94 7.29 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.882 -1.136 . . . . 0.0 112.198 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' B' ' 41' ' ' SER . 17.5 mp0 -105.66 -63.86 1.2 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.852 -1.155 . . . . 0.0 110.032 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -74.22 34.06 0.09 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 108.626 -179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -88.63 -19.7 25.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.853 -1.154 . . . . 0.0 110.568 -179.574 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -91.85 -26.1 18.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.14 . . . . 0.0 109.376 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -103.05 -50.43 3.5 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.418 -0.801 . . . . 0.0 109.606 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 44' ' ' LEU . 16.8 tp -88.83 136.99 32.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.939 -1.1 . . . . 0.0 108.592 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 47' ' ' ILE . 23.7 tt0 -49.4 134.92 18.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.768 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.0 pm0 -56.02 82.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.547 HD12 HD13 ' B' ' 36' ' ' ILE . 9.3 mt -55.79 125.17 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.066 -1.021 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -113.67 -18.16 11.95 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -100.05 152.75 19.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.435 -0.791 . . . . 0.0 108.93 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.46 -26.45 17.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.195 -0.941 . . . . 0.0 110.183 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -46.44 -34.98 5.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.205 -0.934 . . . . 0.0 111.03 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.46 HG23 ' N ' ' B' ' 53' ' ' VAL . 24.9 m -74.42 -38.29 46.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.716 -1.24 . . . . 0.0 108.026 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.46 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -66.47 -23.05 30.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.296 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.63 35.68 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -33.95 22.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 108.947 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.8 OUTLIER -62.32 -43.19 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 11.1 mtt -59.79 -35.13 74.03 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -62.15 -30.25 70.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 108.669 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 41.6 m -88.63 -29.06 20.23 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.567 -0.708 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -101.07 -42.31 6.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.286 -0.884 . . . . 0.0 110.69 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.0 t0 -55.94 104.99 0.16 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.411 -1.431 . . . . 0.0 110.145 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' A' ' 62' ' ' GLU . 58.4 tt0 -91.02 -44.82 9.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 7.7 p30 -78.04 -2.82 39.06 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.99 44.14 97.49 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -96.14 -4.89 41.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.338 -1.095 . . . . 0.0 109.792 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.73 8.06 50.92 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.37 173.07 10.88 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.485 ' O ' ' O ' ' B' ' 69' ' ' ASP . 98.5 m -127.54 91.64 3.34 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.48 -0.763 . . . . 0.0 110.783 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.9 t0 -54.13 -167.28 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -77.8 -30.66 51.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.518 -1.364 . . . . 0.0 111.321 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 2.7 pp0? -75.47 -33.31 60.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.741 -1.225 . . . . 0.0 110.664 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 50.5 tt0 -87.03 -38.07 16.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.769 -1.207 . . . . 0.0 108.336 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.531 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -58.14 -37.98 75.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.52 -0.737 . . . . 0.0 109.069 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -77.02 -17.19 58.99 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.5 -19.05 50.6 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.406 ' O ' HG13 ' B' ' 80' ' ' VAL . 20.6 t80 -74.66 -54.47 7.35 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.715 -0.794 . . . . 0.0 108.99 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' B' ' 81' ' ' THR . 73.9 t -52.28 -33.79 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 108.664 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 82' ' ' THR . 0.8 OUTLIER -66.9 -35.2 79.46 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -72.18 -29.53 64.08 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.406 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -88.32 -31.59 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.337 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 44.8 m -74.81 -36.12 62.46 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.755 HG23 ' O ' ' B' ' 78' ' ' SER . 16.6 p -66.04 -37.4 85.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.087 -1.008 . . . . 0.0 110.285 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.65 75.59 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.918 -1.114 . . . . 0.0 108.704 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.85 -44.82 80.01 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.63 -28.03 63.5 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.305 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -68.34 -50.24 54.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.0 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.63 -45.88 77.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 108.832 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.719 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -71.81 -21.27 61.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.395 -0.815 . . . . 0.0 111.235 -178.593 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -70.66 -33.99 71.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.579 -1.326 . . . . 0.0 109.001 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.14 -45.5 66.68 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.657 -0.652 . . . . 0.0 109.47 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.91 -55.95 24.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.178 -0.951 . . . . 0.0 110.749 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -57.79 -37.47 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.913 -1.117 . . . . 0.0 109.002 -179.575 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.15 -54.31 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.504 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.44 68.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' PHE . 1.4 mt -79.58 -49.22 12.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.225 -0.922 . . . . 0.0 110.129 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.6 -36.74 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.128 -0.983 . . . . 0.0 109.136 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.033 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -72.86 -26.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.136 -0.977 . . . . 0.0 109.622 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -70.64 -44.11 67.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.481 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 0.8 OUTLIER -78.43 -40.56 35.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.064 -1.022 . . . . 0.0 110.664 -178.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.06 -41.91 89.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.789 -1.194 . . . . 0.0 110.106 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.2 -56.44 3.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 109.616 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 2.2 m -58.74 -26.79 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.953 -1.092 . . . . 0.0 108.78 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -94.08 0.08 66.32 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -62.74 -46.3 88.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.051 -1.264 . . . . 0.0 108.665 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -161.0 153.36 20.37 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 118.06 -170.68 13.73 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -47.42 -69.97 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.47 -9.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.291 -0.88 . . . . 0.0 109.017 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -168.05 61.69 0.07 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.476 -1.39 . . . . 0.0 110.667 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -136.8 147.31 46.53 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -99.02 128.56 45.18 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.965 0.888 . . . . 0.0 110.709 -178.836 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -110.97 161.02 16.27 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -46.7 -42.28 16.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.105 -0.997 . . . . 0.0 109.118 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -18.93 3.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 56.0 mt-10 -99.72 -35.69 9.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.287 -0.883 . . . . 0.0 108.702 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -55.76 11.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.498 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -68.13 -33.67 74.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.964 -1.085 . . . . 0.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.44 -32.88 54.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.992 -1.068 . . . . 0.0 109.933 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.0 tp -70.02 -35.8 74.6 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 47' ' ' ILE . 72.4 mt -69.03 -40.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.619 -0.676 . . . . 0.0 110.324 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 69.2 m-80 -82.3 -24.63 34.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.022 -1.049 . . . . 0.0 111.588 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.25 -45.38 8.66 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.665 -1.272 . . . . 0.0 112.582 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' A' ' 41' ' ' SER . 30.5 tt0 -110.44 -60.06 1.86 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.857 -1.152 . . . . 0.0 110.25 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.4 mm? -71.74 28.78 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.92 -1.113 . . . . 0.0 108.432 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.53 -17.2 32.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 110.14 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.3 p80 -89.37 -27.13 20.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.832 -1.168 . . . . 0.0 109.589 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.2 m-85 -106.7 -47.46 3.74 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 80' ' ' VAL . 8.1 tp -86.9 135.23 33.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.951 -1.093 . . . . 0.0 108.788 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 47' ' ' ILE . 83.7 mt-10 -50.2 135.34 21.37 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.618 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 10.0 mp0 -54.63 82.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.603 -0.686 . . . . 0.0 109.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.4 mt -59.19 125.58 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.067 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -115.61 -15.51 11.4 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.24 149.78 25.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.544 -0.723 . . . . 0.0 109.124 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' VAL . 18.3 mt-30 -86.57 -26.07 24.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.188 -0.945 . . . . 0.0 109.406 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -42.29 -39.13 2.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.444 -0.785 . . . . 0.0 110.835 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 p -75.11 -38.94 43.13 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.56 -23.82 32.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.55 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' GLN . 84.5 m-20 -77.63 -35.29 52.77 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -82.27 -43.88 16.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 109.161 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -37.14 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 120.477 -1.39 . . . . 0.0 107.446 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.1 tpp -63.62 -25.97 68.46 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -75.11 -30.72 60.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.124 -0.985 . . . . 0.0 109.445 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -87.86 -30.14 20.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 72' ' ' GLU . 45.6 tp -88.75 -53.02 4.82 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.396 -0.815 . . . . 0.0 110.945 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 60.8 t0 -56.34 105.68 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.681 -1.262 . . . . 0.0 109.656 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -90.36 -43.97 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -75.93 -4.95 43.83 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.39 45.44 95.93 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.259 -1.936 . . . . 0.0 108.259 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 45.4 p30 -97.91 -6.31 32.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.387 -1.066 . . . . 0.0 109.965 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.32 8.88 84.14 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -138.35 172.59 12.68 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 69' ' ' ASP . 15.1 m -122.34 93.33 3.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.46 -0.775 . . . . 0.0 110.595 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -52.15 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -74.68 -29.67 61.3 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.279 -1.513 . . . . 0.0 110.747 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -66.23 -47.81 72.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.116 -0.99 . . . . 0.0 111.55 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.4 pt-20 -88.02 -30.92 19.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.423 -1.423 . . . . 0.0 109.102 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.6 t80 -52.92 -48.37 67.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.548 -1.345 . . . . 0.0 107.926 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.53 68.84 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.4 -18.34 1.59 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.999 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG11 ' A' ' 80' ' ' VAL . 84.8 t80 -67.73 -56.19 10.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 62.1 t -53.95 -29.63 18.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 CA-C-O 122.042 0.925 . . . . 0.0 108.768 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 82' ' ' THR . 7.0 t -69.24 -34.45 74.82 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.372 -0.83 . . . . 0.0 109.856 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.2 mtp -77.54 -29.49 52.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.49 -0.756 . . . . 0.0 110.0 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.2 m -87.55 -32.51 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 99.3 m -74.67 -35.86 62.81 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.653 HG21 ' CD1' ' B' ' 70' ' ' PHE . 7.8 p -68.69 -39.29 80.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.816 -1.178 . . . . 0.0 110.086 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.72 77.97 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.838 -1.164 . . . . 0.0 108.29 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.25 -17.06 64.19 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.936 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.476 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 53.7 t60 -105.45 -35.5 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.415 -0.803 . . . . 0.0 109.708 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' THR . 18.8 tt0 -69.52 -35.36 75.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.005 -1.059 . . . . 0.0 109.152 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -73.03 -42.52 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.313 -0.867 . . . . 0.0 109.175 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.215 -0.928 . . . . 0.0 109.014 179.445 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.679 0.752 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -71.66 -21.42 61.81 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 111.221 -178.647 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -70.68 -33.86 71.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.377 -1.452 . . . . 0.0 108.984 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.19 -45.43 66.66 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.584 -0.698 . . . . 0.0 109.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.19 -55.76 27.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 110.811 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -57.62 -37.52 73.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.984 -1.072 . . . . 0.0 108.979 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -68.14 -54.5 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.009 -1.057 . . . . 0.0 109.404 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.66 68.42 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.597 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.46 -49.3 12.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.077 -1.014 . . . . 0.0 110.198 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mm -45.6 -36.73 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.039 -1.038 . . . . 0.0 109.142 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.21 -50.96 42.53 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.227 -0.92 . . . . 0.0 109.087 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.88 -26.48 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -70.49 -43.98 68.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.995 -1.066 . . . . 0.0 109.642 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.476 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -78.57 -40.39 34.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.942 -1.099 . . . . 0.0 110.69 -178.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.21 -41.81 89.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.787 -1.196 . . . . 0.0 110.163 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.42 -56.33 3.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.892 -1.13 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 2.6 m -58.51 -27.05 64.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.883 -1.136 . . . . 0.0 108.667 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -94.15 0.23 66.28 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -63.1 -46.16 88.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.942 -1.329 . . . . 0.0 108.567 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 0.0 OUTLIER -160.66 153.54 21.24 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 117.92 -170.82 13.75 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -47.31 -69.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 0.0 109.406 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.433 ' H ' ' H ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -169.76 -9.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 108.951 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.433 ' H ' ' H ' ' B' ' 24' ' ' LYS . 8.6 t-80 -168.28 61.84 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.437 -1.414 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -137.01 147.31 46.17 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -99.07 128.62 45.24 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.259 -0.901 . . . . 0.0 110.675 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -110.96 161.21 16.08 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.05 -42.02 17.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.08 -1.012 . . . . 0.0 109.088 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -18.78 4.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.046 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 56.0 mt-10 -99.83 -35.52 9.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.226 -0.921 . . . . 0.0 108.678 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -55.64 11.68 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.352 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.18 -33.8 75.12 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.977 -1.077 . . . . 0.0 109.752 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.47 -32.9 54.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.019 -1.051 . . . . 0.0 109.811 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 18.7 tp -69.9 -35.88 74.95 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.444 HD13 HD12 ' B' ' 47' ' ' ILE . 73.9 mt -69.21 -40.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.605 -0.684 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 69.2 m-80 -82.43 -24.62 34.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.007 -1.058 . . . . 0.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -91.15 -45.46 8.65 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.709 -1.244 . . . . 0.0 112.502 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' B' ' 41' ' ' SER . 32.0 tt0 -110.24 -60.17 1.84 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.835 -1.166 . . . . 0.0 110.266 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' B' ' 40' ' ' LEU . 1.2 mm? -71.59 28.83 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.953 -1.092 . . . . 0.0 108.382 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -87.78 -17.0 32.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.065 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 42' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.3 p80 -89.57 -27.09 20.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.944 -1.097 . . . . 0.0 109.605 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.426 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.2 m-85 -106.92 -47.11 3.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 44' ' ' LEU . 7.9 tp -87.15 135.16 33.4 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.956 -1.09 . . . . 0.0 108.803 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 47' ' ' ILE . 83.8 mt-10 -50.26 135.43 21.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.323 -0.861 . . . . 0.0 110.132 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 9.9 mp0 -54.64 82.72 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.583 -0.698 . . . . 0.0 109.85 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 45' ' ' GLU . 7.8 mt -59.26 125.53 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 0.0 108.962 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -115.71 -15.35 11.36 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -105.15 149.87 25.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.3 mt-30 -86.72 -26.24 24.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.159 -0.963 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 50' ' ' GLN . 58.6 mm-40 -41.95 -39.4 1.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.531 -0.73 . . . . 0.0 110.86 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.12 -38.59 42.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.69 -23.87 31.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.615 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' B' ' 50' ' ' GLN . 84.2 m-20 -77.46 -35.44 53.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -81.97 -44.29 16.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.516 -0.74 . . . . 0.0 109.245 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -37.35 59.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.508 -1.37 . . . . 0.0 107.426 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.45 -26.05 68.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.294 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -75.0 -30.69 61.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.141 -0.975 . . . . 0.0 109.508 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -88.12 -30.05 20.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.282 -0.886 . . . . 0.0 109.342 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.404 HD11 ' O ' ' B' ' 72' ' ' GLU . 46.4 tp -88.83 -53.31 4.67 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 60.7 t0 -56.06 105.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.682 -1.261 . . . . 0.0 109.584 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -90.42 -43.77 10.07 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 0.4 OUTLIER -76.16 -4.82 43.75 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.46 95.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.9 p30 -97.95 -6.3 32.45 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.328 -1.101 . . . . 0.0 109.996 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 8.38 83.51 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -137.97 172.82 12.37 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 13.9 m -122.28 93.34 3.95 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.319 -0.863 . . . . 0.0 110.598 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.8 OUTLIER -52.16 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.653 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.81 -29.62 61.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.315 -1.491 . . . . 0.0 110.785 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -66.12 -47.84 72.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 111.605 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 4.4 pt-20 -87.96 -31.07 19.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.337 -1.477 . . . . 0.0 109.094 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.7 t80 -52.82 -48.41 66.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.512 -1.367 . . . . 0.0 107.905 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.57 68.83 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.34 -18.26 1.52 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.997 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' B' ' 80' ' ' VAL . 84.9 t80 -67.7 -56.03 10.87 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' B' ' 81' ' ' THR . 58.0 t -54.19 -29.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.989 0.899 . . . . 0.0 108.7 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.615 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -69.48 -34.09 73.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.374 -0.829 . . . . 0.0 109.917 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtp -77.59 -29.55 52.05 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.459 -0.775 . . . . 0.0 110.034 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' B' ' 76' ' ' PHE . 1.2 m -87.61 -32.39 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.5 m -74.63 -35.51 62.89 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.648 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.6 p -69.04 -39.25 79.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.868 -1.145 . . . . 0.0 110.086 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.7 77.82 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 55.2 m -65.45 -17.08 64.27 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.864 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.481 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 52.7 t60 -105.17 -35.49 7.57 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 109.819 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 82' ' ' THR . 19.7 tt0 -69.39 -35.64 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.049 -1.032 . . . . 0.0 109.156 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.96 -42.47 63.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.394 -0.816 . . . . 0.0 109.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.079 -1.013 . . . . 0.0 108.934 179.593 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.179 0.514 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.89 -22.68 64.17 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.087 -1.008 . . . . 0.0 111.054 -178.838 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -73.31 -35.28 66.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.755 -1.216 . . . . 0.0 109.988 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -67.47 -45.5 75.75 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.083 -1.011 . . . . 0.0 109.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -64.45 -48.45 75.23 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.278 -0.889 . . . . 0.0 109.45 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.455 ' HG3' HG23 ' B' ' 81' ' ' THR . 53.5 ttm -59.77 -35.89 75.55 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.461 -0.774 . . . . 0.0 110.243 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.21 -40.91 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.873 -1.142 . . . . 0.0 108.773 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.59 74.16 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.515 -0.741 . . . . 0.0 109.812 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -78.63 -46.7 18.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.874 -1.141 . . . . 0.0 109.936 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -45.74 -30.45 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.09 -1.006 . . . . 0.0 109.093 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.19 -50.86 17.43 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.322 -0.861 . . . . 0.0 108.796 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.23 -26.94 21.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m-85 -71.23 -49.18 46.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.953 -1.092 . . . . 0.0 110.002 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' NE2' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -76.31 -32.23 58.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.92 -1.112 . . . . 0.0 110.353 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.75 -41.81 82.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.025 -1.047 . . . . 0.0 110.551 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -86.12 -58.09 2.77 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.836 -1.165 . . . . 0.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.62 -27.04 4.12 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.911 -1.118 . . . . 0.0 108.976 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.23 3.33 54.79 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -58.65 -42.74 89.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.575 -1.544 . . . . 0.0 108.981 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.09 171.1 9.83 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.77 -125.04 7.11 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -80.44 -167.59 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -1.164 . . . . 0.0 109.63 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -88.68 -14.88 36.26 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 0.0 110.529 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.8 66.51 0.12 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.492 -1.38 . . . . 0.0 111.103 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -143.48 149.89 38.18 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -95.89 123.68 39.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.197 -0.939 . . . . 0.0 110.641 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 156.84 20.85 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 16.6 mttm -47.78 -45.56 29.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.708 -1.245 . . . . 0.0 109.725 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -50.71 -17.98 0.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.008 . . . . 0.0 109.108 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 35' ' ' LEU . 78.3 mt-10 -101.53 -39.27 7.59 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -49.61 68.6 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 109.145 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HA ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.69 -37.03 79.26 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.044 -1.035 . . . . 0.0 108.612 179.24 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.54 -30.93 53.02 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' GLU . 21.8 tp -70.37 -37.58 74.58 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -69.05 -39.39 79.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 109.772 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.02 -22.78 44.95 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 110.938 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -95.35 -20.14 19.37 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.794 -1.191 . . . . 0.0 112.789 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -129.99 -53.26 1.13 Allowed 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.75 -1.219 . . . . 0.0 110.379 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.6 mm? -85.89 31.44 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.012 -1.055 . . . . 0.0 108.657 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -83.18 -19.63 36.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.997 -1.064 . . . . 0.0 108.697 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.69 -21.97 28.08 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.2 -49.6 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.08 131.06 47.17 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.233 -0.917 . . . . 0.0 109.387 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.07 145.65 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 109.482 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 53.3 mp0 -62.57 107.09 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.267 -0.896 . . . . 0.0 109.572 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 33' ' ' LYS . 4.0 pt -67.85 126.16 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.597 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.45 -13.44 18.7 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -119.2 120.55 37.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' VAL . 12.0 pt20 -59.54 -19.81 51.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLN . 73.3 mt-10 -41.33 -42.03 2.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.996 -1.065 . . . . 0.0 111.445 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.62 -35.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.759 -1.213 . . . . 0.0 108.024 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.26 -23.83 32.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -78.42 -35.93 46.35 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -74.66 -53.56 9.09 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.241 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.26 -38.61 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 66' ' ' GLY . 33.9 ttm -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.3 tm-20 -74.29 -37.61 63.62 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -76.91 -31.66 56.86 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.642 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 4.5 mm? -90.57 -45.64 8.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.158 -0.964 . . . . 0.0 110.469 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 62.8 t0 -56.13 98.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.509 -1.369 . . . . 0.0 109.533 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -90.44 -37.5 13.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 p-10 -80.55 -4.85 55.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.76 45.67 87.5 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' GLU . 23.2 p30 -99.61 -5.87 28.3 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.496 -1.003 . . . . 0.0 109.912 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.502 ' O ' ' SD ' ' A' ' 57' ' ' MET . . . 69.19 0.57 22.27 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.053 -2.019 . . . . 0.0 108.053 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 65' ' ' ASP . 98.7 mt-10 -128.26 173.56 10.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 69' ' ' ASP . 2.6 m -127.05 94.24 3.97 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.222 -0.924 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.0 p-10 -50.73 -171.63 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.0 -30.49 44.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.607 -1.308 . . . . 0.0 111.461 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -75.65 -36.5 60.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.939 -1.101 . . . . 0.0 110.049 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 11.9 tt0 -85.57 -37.32 19.72 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.999 -1.063 . . . . 0.0 108.351 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 1.2 t80 -52.83 -46.74 67.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 108.703 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.408 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.19 -43.64 78.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.49 -19.89 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.485 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -73.65 -55.26 6.51 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.828 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.95 -28.6 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 82' ' ' THR . 7.2 t -67.1 -34.54 77.86 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.8 -34.2 60.17 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.811 -0.556 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -31.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 55.1 m -73.24 -35.12 66.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -75.15 -36.44 61.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.999 -1.063 . . . . 0.0 111.172 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.85 91.69 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.447 -1.408 . . . . 0.0 108.525 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 81' ' ' THR . 23.3 p -66.32 -10.51 43.48 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.532 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.502 ' NE2' ' ND1' ' B' ' 15' ' ' HIS . 49.2 t60 -98.54 -38.08 9.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.455 -0.778 . . . . 0.0 109.341 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.63 -50.49 57.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.227 -0.921 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.24 -43.22 78.45 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 108.889 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.432 179.785 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.196 0.522 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.456 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.07 -22.59 64.0 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.138 -0.976 . . . . 0.0 111.107 -178.8 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -73.48 -35.21 65.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.65 -1.281 . . . . 0.0 109.969 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.37 -45.53 76.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.162 -0.961 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.665 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.439 ' HG3' HG23 ' A' ' 81' ' ' THR . 52.9 ttm -60.1 -35.88 76.18 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.615 -0.678 . . . . 0.0 110.194 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.12 -40.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.827 -1.171 . . . . 0.0 108.809 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.72 74.32 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.418 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -78.57 -46.67 18.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.855 -1.153 . . . . 0.0 109.963 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mm -45.75 -30.46 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.101 -0.999 . . . . 0.0 108.994 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -74.1 -50.98 17.11 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.221 -0.925 . . . . 0.0 108.821 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 t -74.13 -26.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.255 -0.903 . . . . 0.0 109.394 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.5 m-85 -71.19 -49.15 46.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.929 -1.107 . . . . 0.0 110.081 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.502 ' ND1' ' NE2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.45 -32.14 58.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.071 . . . . 0.0 110.313 -178.607 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.81 -41.85 82.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.997 -1.065 . . . . 0.0 110.535 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -86.18 -57.96 2.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 109.845 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.72 -27.01 4.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.943 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.12 3.1 55.1 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -58.64 -42.7 88.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.603 -1.527 . . . . 0.0 109.002 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.05 171.01 9.95 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.826 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.02 -125.11 7.18 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 0.5 OUTLIER -80.43 -167.39 1.32 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.335 -1.097 . . . . 0.0 109.592 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -88.92 -14.95 35.54 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.34 -0.85 . . . . 0.0 110.435 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.64 66.57 0.12 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.607 -1.308 . . . . 0.0 111.017 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -143.55 149.88 38.07 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.2 tt -95.9 123.58 39.55 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.212 -0.93 . . . . 0.0 110.613 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 156.9 20.64 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 16.6 mttm -47.93 -45.39 30.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 0.0 109.709 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -50.78 -17.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 109.08 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 77.9 mt-10 -101.62 -39.47 7.46 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.9 OUTLIER -65.34 -49.34 69.78 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.252 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.458 ' HA ' HD11 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -68.97 -36.95 78.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.982 -1.074 . . . . 0.0 108.617 179.193 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.51 -30.88 53.16 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.793 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.1 tp -70.36 -37.6 74.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' B' ' 32' ' ' LEU . 73.9 mt -69.14 -39.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.726 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -79.15 -22.72 44.66 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.385 -0.822 . . . . 0.0 110.923 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -95.41 -20.07 19.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.757 -1.215 . . . . 0.0 112.823 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.96 -53.26 1.13 Allowed 'General case' 0 N--CA 1.509 2.511 0 O-C-N 120.62 -1.3 . . . . 0.0 110.406 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.759 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.6 mm? -85.89 31.56 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.079 -1.013 . . . . 0.0 108.596 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -83.25 -19.91 35.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.993 -1.067 . . . . 0.0 108.645 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.64 -21.86 28.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -107.25 -49.46 3.26 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -101.29 130.88 47.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.35 -0.844 . . . . 0.0 109.382 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.11 145.67 25.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 52.9 mp0 -62.46 107.13 0.87 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.196 -0.94 . . . . 0.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' B' ' 33' ' ' LYS . 3.7 pt -67.84 125.97 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.594 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -100.33 -13.51 18.78 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -119.18 120.55 37.41 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 53' ' ' VAL . 12.3 pt20 -59.62 -19.69 50.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.25 -0.906 . . . . 0.0 109.958 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -41.32 -42.02 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.081 -1.012 . . . . 0.0 111.38 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.67 -35.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.735 -1.228 . . . . 0.0 107.997 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.15 -24.0 32.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.41 -35.95 46.38 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -53.81 8.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.482 -0.761 . . . . 0.0 109.104 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.21 -38.62 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 66' ' ' GLY . 33.6 ttm -61.04 -24.66 66.36 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -74.31 -37.42 63.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 108.758 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.3 m -76.95 -31.73 56.8 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 4.5 mm? -90.58 -45.57 8.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.106 -0.996 . . . . 0.0 110.401 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 62.9 t0 -56.26 98.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.505 -1.372 . . . . 0.0 109.562 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -90.22 -37.63 14.0 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.8 p-10 -80.57 -4.91 55.83 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.91 45.65 86.77 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' B' ' 67' ' ' GLU . 22.8 p30 -99.61 -5.97 28.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.408 -1.054 . . . . 0.0 109.956 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' B' ' 57' ' ' MET . . . 69.27 0.67 23.43 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -128.36 173.58 10.06 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.517 ' O ' ' O ' ' B' ' 69' ' ' ASP . 2.8 m -127.06 94.11 3.93 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.259 -0.901 . . . . 0.0 110.214 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' B' ' 68' ' ' CYS . 2.0 p-10 -50.65 -171.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -78.92 -30.53 44.8 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.641 -1.287 . . . . 0.0 111.362 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -75.75 -36.52 59.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.944 -1.098 . . . . 0.0 109.97 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 11.7 tt0 -85.5 -37.25 19.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.092 -1.005 . . . . 0.0 108.349 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 1.2 t80 -53.01 -46.59 68.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 108.645 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.418 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -56.28 -43.65 79.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.581 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.52 -19.9 2.57 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.326 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -73.73 -55.17 6.58 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.734 -1.187 . . . . 0.0 108.878 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.2 t -54.86 -28.7 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.678 ' O ' HG23 ' B' ' 82' ' ' THR . 7.0 t -67.0 -34.57 78.04 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.73 -34.31 60.31 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.842 -0.536 . . . . 0.0 109.964 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.22 -31.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.8 m -73.53 -34.92 65.45 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.678 HG23 ' O ' ' B' ' 78' ' ' SER . 17.9 p -75.22 -36.33 61.36 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.997 -1.064 . . . . 0.0 111.209 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.8 91.63 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.254 -1.529 . . . . 0.0 108.515 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 81' ' ' THR . 23.2 p -66.23 -10.65 44.01 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.141 -1.023 . . . . 0.0 108.517 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.497 ' NE2' ' ND1' ' A' ' 15' ' ' HIS . 49.0 t60 -98.36 -38.17 9.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 109.377 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.66 -50.26 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.324 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 108.849 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 109.497 179.749 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD23 HG21 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -68.51 -19.89 64.55 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 109.941 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -73.25 -27.34 61.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.768 -1.208 . . . . 0.0 107.836 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 22.3 mmtt -68.12 -47.0 69.33 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.33 -54.83 26.81 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.484 0.659 . . . . 0.0 109.931 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -49.91 -39.91 41.55 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.265 -0.897 . . . . 0.0 110.09 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.28 -39.17 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 109.712 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.94 71.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 109.484 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.4 mp -79.97 -48.75 12.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.021 -1.05 . . . . 0.0 110.215 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.73 -38.89 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.128 -0.983 . . . . 0.0 109.476 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.04 -51.37 47.58 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.218 -0.926 . . . . 0.0 109.502 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG21 HD23 ' B' ' 3' ' ' LEU . 91.0 t -74.49 -26.89 20.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.414 -0.804 . . . . 0.0 110.151 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 m-85 -72.63 -45.9 56.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.093 . . . . 0.0 109.983 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -75.71 -32.7 60.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.897 -1.127 . . . . 0.0 110.393 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.91 -40.44 91.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.754 -1.216 . . . . 0.0 109.653 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 29.0 m-85 -90.35 -58.2 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.087 . . . . 0.0 109.346 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 2.2 t -55.71 -26.19 43.98 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 108.85 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.63 -1.06 62.21 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -64.36 -45.26 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.826 -1.397 . . . . 0.0 108.892 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.86 162.63 23.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.435 -0.791 . . . . 0.0 109.297 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 105.65 -143.24 15.67 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 25' ' ' HIS . 26.1 t0 -78.43 29.98 0.19 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.259 -1.142 . . . . 0.0 109.385 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.2 tmtp? 66.24 -12.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.325 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 23' ' ' ASP . 30.2 m-70 -152.14 47.98 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.864 -1.148 . . . . 0.0 109.751 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 18' ' ' SER . 27.8 ttmt -141.18 148.71 40.42 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.3 mp -95.28 130.33 42.08 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.111 -0.993 . . . . 0.0 110.806 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -110.9 159.52 17.62 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 176.589 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -45.76 -47.81 15.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.854 -1.153 . . . . 0.0 109.804 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.9 -19.99 2.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -97.8 -28.94 13.64 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.234 -0.916 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -79.37 -53.57 6.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.181 -0.95 . . . . 0.0 109.649 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -67.96 -35.39 78.3 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 109.489 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -76.9 -31.53 56.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.035 -1.04 . . . . 0.0 109.746 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.5 tp -73.63 -33.92 64.77 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.962 -1.087 . . . . 0.0 108.598 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 32' ' ' LEU . 60.7 mt -67.16 -41.21 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.525 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -82.05 -22.93 36.14 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.247 -0.908 . . . . 0.0 111.41 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -88.96 -45.76 9.42 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.362 -1.462 . . . . 0.0 112.217 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.07 -46.64 3.86 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.9 -1.125 . . . . 0.0 110.675 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.42 32.22 0.72 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.937 -1.102 . . . . 0.0 109.779 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -15.86 38.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.843 -1.161 . . . . 0.0 110.175 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.1 -30.35 14.7 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.08 -1.012 . . . . 0.0 110.262 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.99 -58.56 1.85 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.205 -0.935 . . . . 0.0 109.031 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 36' ' ' ILE . 44.1 tp -79.94 138.42 37.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 47' ' ' ILE . 50.1 mt-10 -49.06 130.15 18.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.209 -0.932 . . . . 0.0 110.281 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.95 84.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.7 mt -55.36 129.49 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 108.797 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -115.36 -18.64 10.98 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.41 152.21 21.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.408 -0.807 . . . . 0.0 109.253 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' VAL . 6.8 pt20 -92.8 -29.3 16.07 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.06 -1.025 . . . . 0.0 110.396 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -44.92 -33.82 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.28 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.48 -37.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.78 -24.39 34.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.7 -34.1 52.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -78.88 -49.37 12.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.585 -0.697 . . . . 0.0 109.572 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -53.18 -40.22 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.736 -1.227 . . . . 0.0 108.06 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.7 mmm -59.38 -31.95 69.69 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.21 -36.95 85.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.871 . . . . 0.0 109.155 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -81.27 -32.21 33.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.401 -0.812 . . . . 0.0 109.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.4 mm? -94.2 -48.33 6.24 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.258 -0.901 . . . . 0.0 111.242 -178.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.7 t0 -56.02 104.12 0.13 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.227 -1.546 . . . . 0.0 109.197 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' CD ' HE22 ' A' ' 71' ' ' GLN . 10.3 pt-20 -90.98 -44.34 9.39 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p30 -75.21 -3.75 34.88 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.15 44.86 94.62 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.946 -2.062 . . . . 0.0 107.946 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 21.2 p30 -96.2 -3.76 43.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.582 -0.952 . . . . 0.0 109.196 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.46 0.31 62.22 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.007 -2.037 . . . . 0.0 108.007 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 43.9 mt-10 -125.2 170.56 11.13 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 65.7 m -122.96 91.49 3.5 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.437 -0.79 . . . . 0.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 34.0 t0 -49.76 178.46 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.5 OUTLIER -72.56 -29.3 63.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.055 . . . . 0.0 111.02 -179.314 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.521 HE22 ' CD ' ' A' ' 62' ' ' GLU . 2.0 pp0? -73.36 -37.86 65.9 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.747 -1.22 . . . . 0.0 111.275 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 5.9 pt-20 -89.52 -35.36 15.98 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.381 -1.449 . . . . 0.0 108.312 178.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CD1' HD22 ' A' ' 27' ' ' LEU . 1.3 t80 -51.31 -45.29 62.16 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -60.5 -45.14 94.85 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.31 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.57 -20.26 1.87 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.468 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.85 -51.1 13.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.053 -1.029 . . . . 0.0 108.733 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.413 HG21 HD11 ' B' ' 3' ' ' LEU . 39.5 t -56.47 -37.3 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.152 -0.968 . . . . 0.0 109.003 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.03 -31.05 71.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.284 -0.885 . . . . 0.0 109.117 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.413 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 2.0 ttp -71.54 -26.23 62.55 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -86.52 -34.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -72.99 -35.59 66.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.673 HG21 ' CD1' ' B' ' 70' ' ' PHE . 13.2 p -65.05 -40.35 94.64 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.573 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.9 92.72 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.956 -1.09 . . . . 0.0 108.546 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -66.85 -17.72 65.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -103.45 -35.54 8.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.538 -0.726 . . . . 0.0 109.527 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -76.7 -46.01 27.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.336 -0.853 . . . . 0.0 111.15 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.27 -41.48 94.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.905 -1.122 . . . . 0.0 110.055 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 120.952 -1.093 . . . . 0.0 109.752 -179.792 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.537 0.684 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.2 -19.75 64.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.166 -0.959 . . . . 0.0 109.752 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -73.18 -27.7 61.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.699 -1.25 . . . . 0.0 107.993 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -67.93 -47.11 69.63 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.82 -54.26 33.99 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.239 0.542 . . . . 0.0 110.098 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.5 mtt -50.33 -39.41 46.04 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.945 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.19 -38.65 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.982 -1.073 . . . . 0.0 109.577 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.33 70.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.216 -0.927 . . . . 0.0 109.536 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.1 mp -79.77 -48.87 12.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mt -46.12 -38.54 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.97 -1.081 . . . . 0.0 109.494 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -68.31 -51.13 48.17 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 3' ' ' LEU . 96.3 t -74.62 -26.81 20.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 110.191 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.7 m-85 -72.6 -46.15 55.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.063 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -75.21 -32.59 61.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 110.47 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.22 -40.9 90.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.806 -1.184 . . . . 0.0 109.624 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 28.9 m-85 -90.22 -58.03 2.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.921 -1.112 . . . . 0.0 109.354 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 2.8 t -56.01 -26.48 48.91 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.916 -1.115 . . . . 0.0 108.926 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.65 -0.48 62.52 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -64.23 -45.62 87.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.839 -1.389 . . . . 0.0 108.641 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.21 161.48 22.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.527 -0.733 . . . . 0.0 109.292 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 107.47 -143.33 15.91 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' B' ' 25' ' ' HIS . 26.2 t0 -78.58 29.05 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -1.136 . . . . 0.0 109.44 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' B' ' 25' ' ' HIS . 3.8 tmtp? 67.14 -12.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 109.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' B' ' 24' ' ' LYS . 13.3 m80 -152.26 47.93 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.949 -1.094 . . . . 0.0 109.499 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' B' ' 18' ' ' SER . 27.7 ttmt -141.34 148.95 40.51 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 73' ' ' PHE . 1.1 mp -95.79 129.95 42.86 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.041 -1.037 . . . . 0.0 110.761 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -110.59 159.03 17.93 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 28' ' ' LYS . 37.6 mttm -45.44 -47.85 13.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.815 -1.178 . . . . 0.0 109.577 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -52.16 -19.81 2.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.113 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 28' ' ' LYS . 60.6 mt-10 -97.82 -28.24 13.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.121 -0.987 . . . . 0.0 109.283 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.79 -54.21 6.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.251 -0.906 . . . . 0.0 109.603 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.0 -1.063 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.07 -31.34 55.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.941 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.81 -34.54 64.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 108.589 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.501 HD11 ' CD2' ' B' ' 32' ' ' LEU . 65.3 mt -66.37 -41.41 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.554 -0.716 . . . . 0.0 109.449 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -81.94 -23.28 36.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.406 -0.809 . . . . 0.0 111.528 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -88.86 -45.64 9.57 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.388 -1.445 . . . . 0.0 112.232 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -106.97 -46.8 3.84 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.917 -1.115 . . . . 0.0 110.793 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 31.58 0.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.959 -1.088 . . . . 0.0 109.845 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -15.96 39.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.975 -1.078 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -94.31 -31.05 14.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.933 -1.104 . . . . 0.0 110.115 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.01 -59.06 1.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.071 -1.018 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.49 HD23 HG23 ' B' ' 36' ' ' ILE . 51.5 tp -79.58 138.84 37.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.019 -1.051 . . . . 0.0 108.688 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 47' ' ' ILE . 47.6 mt-10 -49.07 130.12 18.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.065 -1.022 . . . . 0.0 110.374 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.37 84.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.972 . . . . 0.0 109.477 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' B' ' 45' ' ' GLU . 5.5 mt -55.64 129.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -115.32 -18.06 11.15 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.68 151.97 21.39 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.739 . . . . 0.0 109.26 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' B' ' 53' ' ' VAL . 8.7 pt20 -92.71 -29.19 16.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.212 -0.93 . . . . 0.0 110.329 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -45.34 -33.53 2.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 110.112 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 53' ' ' VAL . 27.5 m -74.57 -37.79 44.45 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -65.71 -23.83 33.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -78.5 -33.72 47.95 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -79.23 -49.34 12.66 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.37 -40.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.773 -1.205 . . . . 0.0 108.162 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.576 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.8 mmm -59.68 -31.48 69.6 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.16 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -65.26 -36.29 83.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 0.0 109.085 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -82.04 -31.58 30.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.44 -0.787 . . . . 0.0 109.754 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.4 mm? -94.61 -48.64 5.99 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.275 -0.891 . . . . 0.0 111.35 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.2 t0 -55.77 104.2 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.251 -1.53 . . . . 0.0 109.107 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.571 ' CD ' HE22 ' B' ' 71' ' ' GLN . 10.0 pt-20 -90.91 -44.55 9.3 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' B' ' 62' ' ' GLU . 1.3 p30 -74.61 -4.88 39.75 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.98 44.99 95.83 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 23.6 p30 -96.28 -3.8 43.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.575 -0.956 . . . . 0.0 109.218 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -0.09 62.78 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.0 mt-10 -125.03 169.88 11.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.576 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 63.3 m -122.15 91.79 3.58 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 109.984 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 32.2 t0 -49.99 179.16 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.673 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -73.21 -29.0 62.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.12 -0.988 . . . . 0.0 110.852 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.571 HE22 ' CD ' ' B' ' 62' ' ' GLU . 1.9 pp0? -73.8 -38.12 64.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.955 -1.091 . . . . 0.0 110.932 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 5.2 pt-20 -89.19 -35.28 16.31 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.224 -1.547 . . . . 0.0 108.301 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' B' ' 27' ' ' LEU . 1.3 t80 -51.41 -45.27 62.5 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 178.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.66 -20.08 1.88 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.565 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -75.91 -50.78 14.02 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.074 -1.016 . . . . 0.0 108.693 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.86 -36.96 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.12 -0.987 . . . . 0.0 109.085 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -66.57 -31.72 72.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.248 -0.908 . . . . 0.0 109.154 -179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.6 ttp -70.9 -27.09 63.53 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.13 -34.78 8.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -73.29 -35.42 66.12 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' A' ' 70' ' ' PHE . 15.3 p -65.35 -40.55 93.77 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.678 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.2 90.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.13 . . . . 0.0 108.546 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.03 -16.28 63.97 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.038 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -103.7 -36.15 7.98 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.434 -0.791 . . . . 0.0 109.439 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.64 -45.4 30.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 111.254 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -66.3 -40.82 90.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.822 -1.174 . . . . 0.0 109.98 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.075 . . . . 0.0 109.538 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.66 -19.43 62.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.321 -0.862 . . . . 0.0 110.499 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -36.19 73.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.8 -1.187 . . . . 0.0 109.029 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.48 -47.33 49.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -56.13 25.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.306 -0.871 . . . . 0.0 110.604 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' B' ' 80' ' ' VAL . 13.1 mtm -53.2 -37.61 62.12 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.334 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 t -69.97 -48.67 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.0 109.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -35.35 64.81 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 110.193 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.8 mp -79.35 -46.22 18.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 mm -44.64 -48.61 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.509 -1.369 . . . . 0.0 109.822 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.11 -48.35 73.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.005 -1.06 . . . . 0.0 109.561 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 t -70.93 -26.74 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.317 -0.865 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 33.9 t80 -72.37 -50.7 24.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 109.564 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' NE2' ' NE2' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -75.67 -30.68 59.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.885 . . . . 0.0 110.36 -178.419 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -65.17 -45.69 83.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.001 -1.062 . . . . 0.0 110.104 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -84.91 -55.56 4.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.962 -1.086 . . . . 0.0 109.301 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 44.0 p -52.9 -27.47 18.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.029 -1.044 . . . . 0.0 108.437 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.87 61.91 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 34' ' ' GLU . 44.3 ttt85 -63.41 -44.32 94.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.73 -1.453 . . . . 0.0 109.336 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.1 170.87 19.58 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.665 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.51 -175.46 2.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -44.41 105.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.665 -0.903 . . . . 0.0 109.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 88.8 mttt -52.54 169.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.421 -0.799 . . . . 0.0 109.887 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 3.4 m80 69.12 3.78 4.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.5 -0.75 . . . . 0.0 111.275 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.9 145.23 50.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.4 tt -93.89 125.18 38.36 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.691 -0.631 . . . . 0.0 109.735 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.6 mtmp? -110.54 157.97 19.06 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.575 -0.703 . . . . 0.0 110.006 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 3.9 ttpm? -48.96 -45.41 41.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.851 -1.156 . . . . 0.0 109.139 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -57.48 -20.25 29.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.137 -0.977 . . . . 0.0 108.613 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LYS . 87.2 mt-10 -98.92 -26.05 14.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.2 -58.62 2.98 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -62.89 -36.17 82.44 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.925 -1.109 . . . . 0.0 109.566 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' A' ' 20' ' ' ARG . 82.7 tt0 -73.76 -30.52 62.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.973 -1.08 . . . . 0.0 109.37 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.02 -34.71 61.93 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 mm -60.03 -45.87 94.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.684 0.754 . . . . 0.0 109.451 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -80.24 -22.18 42.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.66 -0.65 . . . . 0.0 111.797 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.79 -43.98 7.98 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.754 -1.216 . . . . 0.0 112.97 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 41' ' ' SER . 4.9 tp10 -108.47 -63.48 1.33 Allowed 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.756 -1.215 . . . . 0.0 110.5 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.621 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -72.09 30.09 0.05 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.822 -1.174 . . . . 0.0 108.639 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -92.08 -16.81 25.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.986 -1.071 . . . . 0.0 110.403 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.31 -22.87 20.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.707 -1.245 . . . . 0.0 110.144 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.15 -22.53 11.38 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.419 -0.801 . . . . 0.0 109.117 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.05 135.41 50.92 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -48.91 135.35 15.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.962 . . . . 0.0 109.45 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -56.32 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 110.196 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 36' ' ' ILE . 40.4 mt -70.73 124.39 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 108.76 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -111.12 -14.72 13.84 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 29.2 mp0 -109.6 133.66 52.85 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' VAL . 31.5 mt-30 -69.08 -19.79 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.149 -0.969 . . . . 0.0 109.489 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -40.59 -42.54 1.71 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.448 -0.782 . . . . 0.0 111.114 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.42 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.1 t -71.52 -37.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.647 HG21 ' HB2' ' A' ' 33' ' ' LYS . 41.0 t -67.67 -23.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.0 m-20 -77.82 -34.8 51.83 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -84.7 -40.54 17.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.733 -0.604 . . . . 0.0 109.453 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -38.5 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.707 -1.246 . . . . 0.0 108.44 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.8 mtp -64.64 -33.24 75.47 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.385 -0.822 . . . . 0.0 108.824 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.46 -33.74 74.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.405 -0.81 . . . . 0.0 109.222 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -83.0 -28.09 29.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.387 -0.821 . . . . 0.0 109.731 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.0 -46.23 6.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 110.198 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.6 t0 -55.88 102.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.351 . . . . 0.0 108.798 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.05 -43.45 10.5 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.8 p30 -76.06 -3.02 33.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 42.82 93.55 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.8 p-10 -92.56 -5.63 51.28 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.546 -0.973 . . . . 0.0 109.215 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.57 2.83 90.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 27.2 mt-10 -135.29 169.52 17.35 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' ASP . 1.6 m -120.77 95.41 4.7 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 15.8 m-20 -54.05 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.622 ' CE2' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -68.88 -60.61 2.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.067 -1.021 . . . . 0.0 110.636 -179.284 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.6 -39.77 5.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.174 -0.954 . . . . 0.0 112.262 -177.728 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 4.4 pt-20 -90.43 -37.46 13.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.179 -1.576 . . . . 0.0 108.875 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.5 t80 -53.26 -44.33 68.12 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.577 -1.327 . . . . 0.0 108.054 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -44.66 92.06 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.19 -21.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.181 -1.008 . . . . 0.0 109.398 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -76.13 -49.77 16.45 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.954 -1.099 . . . . 0.0 108.336 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -55.96 -40.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.502 -0.749 . . . . 0.0 109.501 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.825 ' O ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -69.0 -24.67 64.25 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 ttt -73.16 -31.16 64.08 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' SD ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -86.49 -33.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 m -65.4 -40.31 93.26 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -58.85 -42.47 89.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.073 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.59 82.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.689 -1.257 . . . . 0.0 108.105 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.36 -16.37 60.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.47 -34.76 10.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.387 -0.821 . . . . 0.0 108.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -76.52 -36.08 57.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.547 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -65.65 -52.76 49.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.458 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.343 -0.848 . . . . 0.0 109.525 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.7 -19.51 62.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -0.808 . . . . 0.0 110.507 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -35.98 73.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.695 -1.253 . . . . 0.0 108.992 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.61 -47.29 48.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.508 -0.745 . . . . 0.0 109.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.32 23.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.839 . . . . 0.0 110.583 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 80' ' ' VAL . 12.9 mtm -53.09 -37.74 61.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.201 -0.937 . . . . 0.0 109.294 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.96 -48.56 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.225 -0.922 . . . . 0.0 109.047 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.22 65.18 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.625 -0.672 . . . . 0.0 110.226 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' B' ' 14' ' ' PHE . 6.9 mp -79.37 -46.15 18.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.854 -1.154 . . . . 0.0 111.061 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -44.62 -48.72 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.487 -1.383 . . . . 0.0 109.847 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.0 -48.36 74.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -70.97 -26.67 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 0.0 109.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 33.7 t80 -72.52 -50.45 25.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 109.601 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.76 59.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.289 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -65.14 -45.65 84.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.016 -1.053 . . . . 0.0 110.098 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -85.04 -55.49 4.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.008 -1.057 . . . . 0.0 109.291 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -52.84 -27.45 18.35 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.049 -1.032 . . . . 0.0 108.469 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.43 3.93 61.75 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' B' ' 34' ' ' GLU . 44.2 ttt85 -63.48 -44.44 94.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.752 -1.44 . . . . 0.0 109.22 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.01 170.87 19.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.658 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.46 -175.48 2.47 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -44.34 105.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.706 -0.879 . . . . 0.0 109.916 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.42 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 88.5 mttt -52.52 168.94 0.09 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.43 -0.794 . . . . 0.0 109.882 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.42 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 3.3 m80 69.2 3.71 4.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.78 145.16 50.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.116 -0.99 . . . . 0.0 108.966 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.4 tt -93.78 125.17 38.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.647 -0.658 . . . . 0.0 109.757 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.51 157.99 19.02 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.614 -0.679 . . . . 0.0 109.958 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HG3' HG11 ' B' ' 53' ' ' VAL . 3.9 ttpm? -48.92 -45.48 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.818 -1.176 . . . . 0.0 109.088 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 m -57.48 -20.07 28.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 28' ' ' LYS . 87.6 mt-10 -99.03 -26.12 14.34 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -58.75 2.93 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.226 -0.921 . . . . 0.0 109.145 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.627 ' HB2' HG21 ' B' ' 53' ' ' VAL . 0.6 OUTLIER -62.78 -36.3 82.67 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 120.891 -1.131 . . . . 0.0 109.486 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 82.8 tt0 -73.76 -30.5 62.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 35.3 tp -75.01 -34.8 61.97 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.634 HG21 HD12 ' B' ' 47' ' ' ILE . 1.7 mm -59.97 -45.84 94.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 121.68 0.752 . . . . 0.0 109.571 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -80.26 -22.19 41.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.672 -0.642 . . . . 0.0 111.682 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.77 -43.97 7.99 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.643 -1.286 . . . . 0.0 112.928 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' B' ' 41' ' ' SER . 4.9 tp10 -108.56 -63.51 1.33 Allowed 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.677 -1.264 . . . . 0.0 110.461 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.615 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.6 mm? -72.12 30.11 0.05 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.87 -1.144 . . . . 0.0 108.706 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.545 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.06 -16.91 25.78 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.045 -1.034 . . . . 0.0 110.439 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -91.32 -22.75 20.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.779 -1.2 . . . . 0.0 110.166 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -111.12 -22.69 11.31 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -109.86 135.39 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -48.9 135.33 15.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.525 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -56.21 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 110.235 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.634 HD12 HG21 ' B' ' 36' ' ' ILE . 40.7 mt -70.85 124.55 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -111.25 -14.74 13.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 29.2 mp0 -109.41 133.71 52.74 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' B' ' 53' ' ' VAL . 31.4 mt-30 -69.23 -19.68 63.95 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 50' ' ' GLN . 31.7 mt-10 -40.64 -42.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 0.0 111.095 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -37.88 66.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' B' ' 33' ' ' LYS . 40.2 t -67.7 -23.66 29.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.3 m-20 -77.81 -34.91 51.9 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -84.62 -40.71 17.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.678 -0.639 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -38.53 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.622 -1.299 . . . . 0.0 108.509 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 30.1 mtp -64.65 -33.28 75.58 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.4 -33.86 74.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -83.01 -28.05 29.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.405 -0.809 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.09 -46.1 6.3 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 63' ' ' ASP . 48.5 t0 -56.03 102.43 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.39 -1.444 . . . . 0.0 108.783 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -89.95 -43.45 10.55 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 5.7 p30 -76.03 -3.04 33.61 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.22 42.8 93.57 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.7 p-10 -92.51 -5.57 51.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.613 -0.934 . . . . 0.0 109.266 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.99 89.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.4 mt-10 -135.17 169.45 17.43 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' B' ' 69' ' ' ASP . 1.6 m -120.86 95.17 4.6 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.346 -0.846 . . . . 0.0 110.29 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.502 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 15.6 m-20 -53.86 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -68.92 -60.69 2.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.049 -1.032 . . . . 0.0 110.551 -179.292 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -44.54 -39.91 5.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.116 -0.99 . . . . 0.0 112.126 -177.603 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 4.4 pt-20 -90.39 -37.42 14.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.192 -1.568 . . . . 0.0 108.878 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.5 t80 -53.4 -44.18 68.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.66 -1.275 . . . . 0.0 108.058 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.438 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -59.15 -44.59 92.11 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.34 -21.18 1.3 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.385 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.16 -49.62 16.77 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 118.976 -1.09 . . . . 0.0 108.286 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -56.01 -40.46 63.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.422 -0.799 . . . . 0.0 109.45 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.829 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -68.94 -24.79 64.31 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttt -73.24 -30.9 63.79 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' SD ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -86.56 -33.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 m -65.44 -40.26 93.07 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.829 HG23 ' O ' ' B' ' 78' ' ' SER . 17.7 p -58.78 -42.6 89.39 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.67 82.71 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.752 -1.218 . . . . 0.0 108.063 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.12 -16.51 60.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.896 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.416 ' NE2' ' NE2' ' A' ' 15' ' ' HIS . 7.1 t-160 -99.48 -34.74 10.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.377 -0.827 . . . . 0.0 108.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -76.45 -36.18 58.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.334 -0.854 . . . . 0.0 109.49 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -65.67 -52.75 49.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.342 -0.849 . . . . 0.0 109.564 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.59 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 p -91.41 74.88 6.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -48.01 -31.35 5.27 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.22 -19.78 63.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.532 -0.73 . . . . 0.0 109.552 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.16 -27.62 63.68 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 24.1 mmtt -71.54 -48.3 49.5 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.22 25.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.463 0.649 . . . . 0.0 110.077 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.4 mtt -50.89 -39.19 53.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.283 -0.886 . . . . 0.0 109.78 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.02 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 8.9 mp -80.73 -49.08 11.63 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.884 -1.135 . . . . 0.0 110.921 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.74 -28.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.71 -1.244 . . . . 0.0 109.502 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.34 -49.54 12.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 0.0 109.38 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.03 -27.11 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.918 . . . . 0.0 109.195 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -73.15 -47.9 40.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.297 -0.877 . . . . 0.0 109.128 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -73.76 -35.37 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 110.628 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.07 -37.3 87.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.859 -1.151 . . . . 0.0 109.705 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -90.89 -58.9 2.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.051 -1.031 . . . . 0.0 109.195 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 38.3 p -54.64 -30.58 55.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.963 -1.086 . . . . 0.0 108.449 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.31 -1.0 67.02 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.61 -41.22 89.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.805 -1.409 . . . . 0.0 108.261 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.83 169.44 22.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.675 -0.64 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.75 -168.04 27.43 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.78 -68.22 0.19 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.227 -1.16 . . . . 0.0 109.087 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 7.2 mmtt -179.59 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.387 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 34.4 m-70 -153.93 47.79 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.182 . . . . 0.0 111.014 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -131.27 144.92 51.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -93.69 125.99 38.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.077 -1.014 . . . . 0.0 110.692 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -106.58 152.68 23.4 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.9 ttpm? -46.88 -47.23 21.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.698 -1.251 . . . . 0.0 110.311 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.6 m -49.01 -10.79 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.096 -1.002 . . . . 0.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.06 -45.17 5.48 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -55.41 35.2 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.147 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -63.07 -39.83 95.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.776 -1.203 . . . . 0.0 109.136 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 51.4 tp10 -74.66 -31.04 61.81 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.956 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.8 tp -76.8 -31.69 57.14 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.31 -39.24 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 108.76 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -81.91 -23.92 35.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.869 -179.641 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 22.9 m-20 -99.74 -42.18 6.96 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.118 -0.989 . . . . 0.0 111.989 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -100.16 -69.95 0.75 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.808 -1.183 . . . . 0.0 110.621 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.81 0.17 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.55 -18.01 29.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.878 -1.139 . . . . 0.0 109.802 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.05 -28.1 21.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.082 -1.011 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.02 -40.6 5.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.54 -0.725 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 80' ' ' VAL . 7.0 tp -102.67 128.18 49.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -55.07 140.28 38.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.677 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.1 pm0 -71.1 104.73 3.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.26 -0.9 . . . . 0.0 109.07 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.0 135.19 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.98 -1.075 . . . . 0.0 109.755 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 1.1 mppt? -97.21 -13.93 21.74 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 51' ' ' GLU . 85.9 mt-10 -123.91 123.85 41.33 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.596 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.8 mp0 -53.87 -12.23 0.53 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.131 -0.981 . . . . 0.0 108.45 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 49' ' ' GLU . 42.3 tt0 -38.34 -51.6 1.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.709 -0.619 . . . . 0.0 112.283 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -67.9 -35.7 73.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.502 -1.374 . . . . 0.0 107.56 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -67.49 -23.96 30.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 178.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLN . 29.7 t0 -78.1 -34.57 50.04 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.79 -42.76 19.27 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -55.07 -44.16 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.791 -1.193 . . . . 0.0 108.282 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.9 mtt -60.25 -33.34 72.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.479 -0.763 . . . . 0.0 109.464 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.54 -27.86 67.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.959 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.8 m -92.62 -27.04 17.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.41 -0.806 . . . . 0.0 109.554 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -100.84 -45.71 5.37 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 34.8 t0 -55.33 111.28 0.84 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.384 -1.448 . . . . 0.0 109.671 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -89.65 -45.45 9.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 p30 -79.56 -3.05 45.18 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.45 43.27 98.93 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 107.661 -2.176 . . . . 0.0 107.661 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 50.2 p30 -92.08 -5.79 52.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.511 -0.993 . . . . 0.0 110.331 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.14 0.05 60.18 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -126.47 171.26 11.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' ASP . 23.4 m -127.47 94.27 3.94 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.145 -0.972 . . . . 0.0 110.652 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 68' ' ' CYS . 14.5 p30 -53.0 -169.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.2 p90 -78.07 -29.74 49.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.645 -1.284 . . . . 0.0 111.048 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.56 -42.55 78.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.985 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -32.03 16.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.754 -1.216 . . . . 0.0 109.353 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.67 -44.84 70.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.611 -1.305 . . . . 0.0 108.154 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -61.85 -45.16 94.98 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 177.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.93 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.6 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.15 -50.84 29.12 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 118.626 -1.23 . . . . 0.0 108.116 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.3 t -56.64 -34.17 41.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.263 -0.898 . . . . 0.0 108.751 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 82' ' ' THR . 0.7 OUTLIER -65.51 -33.82 76.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.431 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 9.1 ttp -75.05 -25.82 58.96 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 44' ' ' LEU . 93.1 t -86.68 -35.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.9 m -73.65 -33.78 64.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 78' ' ' SER . 17.1 p -68.9 -36.18 77.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.683 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.68 82.94 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.673 -1.267 . . . . 0.0 109.029 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.48 -3.34 46.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -103.25 -37.69 7.57 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.328 -0.858 . . . . 0.0 109.385 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.78 -26.2 34.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 109.234 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.55 -57.21 11.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 0.0 109.28 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.04 -29.23 70.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.237 -0.915 . . . . 0.0 109.384 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -95.53 27.82 3.24 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -69.21 100.89 1.37 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.094 -1.004 . . . . 0.0 109.159 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.456 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 tpt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 4' ' ' GLU . 3.6 p -91.3 74.9 6.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 109.24 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -48.04 -31.42 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.19 -19.79 63.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.534 -0.729 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' B' ' 1' ' ' SER . 68.3 tt0 -71.22 -27.56 63.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -71.54 -48.37 49.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.4 -55.19 26.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.503 0.668 . . . . 0.0 110.176 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -50.66 -39.41 50.7 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.389 -0.82 . . . . 0.0 109.791 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.18 20.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.025 -1.047 . . . . 0.0 109.346 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.09 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.251 -0.906 . . . . 0.0 109.719 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.549 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 8.9 mp -80.72 -49.04 11.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.842 -1.161 . . . . 0.0 110.899 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' B' ' 10' ' ' LEU . 58.2 mt -45.74 -28.47 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.695 -1.253 . . . . 0.0 109.538 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.54 -49.46 12.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 109.275 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -77.11 -27.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.317 -0.864 . . . . 0.0 109.193 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.2 -47.86 40.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -73.86 -35.31 64.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 110.569 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.11 -37.32 87.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.827 -1.17 . . . . 0.0 109.74 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -90.86 -58.76 2.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.974 -1.079 . . . . 0.0 109.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.8 p -54.88 -30.29 57.72 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.005 -1.059 . . . . 0.0 108.483 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.46 -1.07 66.65 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -59.56 -41.29 89.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.848 -1.383 . . . . 0.0 108.286 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.62 169.76 21.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.606 -0.684 . . . . 0.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.48 -167.99 27.75 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -50.96 -68.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.202 -1.176 . . . . 0.0 109.025 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.523 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 7.2 mmtt -179.63 -7.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 109.36 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 35.1 m-70 -153.9 47.73 0.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.801 -1.187 . . . . 0.0 111.074 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -131.29 144.92 51.63 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -93.58 125.86 38.43 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.14 -0.975 . . . . 0.0 110.732 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -106.48 152.91 23.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 2.8 ttpm? -47.03 -47.29 22.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.611 -1.306 . . . . 0.0 110.254 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.9 m -48.92 -10.8 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.063 -1.023 . . . . 0.0 110.88 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -101.0 -45.33 5.44 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -55.22 37.69 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.115 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -63.25 -39.76 95.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.784 -1.197 . . . . 0.0 109.132 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.4 tp10 -74.74 -31.11 61.73 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.896 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.7 tp -76.67 -31.81 57.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.29 -39.21 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.302 -0.874 . . . . 0.0 108.81 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.6 OUTLIER -81.88 -23.85 36.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.483 -0.761 . . . . 0.0 110.902 -179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 23.6 m-20 -99.88 -42.14 6.93 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.123 -0.986 . . . . 0.0 111.938 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -100.16 -69.98 0.75 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.793 -1.192 . . . . 0.0 110.596 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 0.0 109.549 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.62 -18.06 28.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 109.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -88.0 -28.03 21.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.93 -40.87 5.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.577 -0.702 . . . . 0.0 109.372 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' B' ' 80' ' ' VAL . 6.9 tp -102.51 128.21 49.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.399 -0.813 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -55.11 140.33 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.1 pm0 -70.98 104.53 3.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.83 135.1 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 1.1 mppt? -97.17 -13.99 21.75 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' B' ' 51' ' ' GLU . 85.1 mt-10 -123.93 123.87 41.36 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.606 ' H ' ' CD ' ' B' ' 50' ' ' GLN . 1.8 mp0 -53.82 -12.23 0.51 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.121 -0.987 . . . . 0.0 108.472 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.459 ' N ' ' C ' ' B' ' 49' ' ' GLU . 41.4 tt0 -38.34 -51.57 1.52 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.728 -0.608 . . . . 0.0 112.29 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.429 HG23 ' H ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -67.91 -35.76 73.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 118.287 -1.365 . . . . 0.0 107.585 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.6 OUTLIER -67.45 -24.01 30.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.5 t0 -78.07 -34.57 50.26 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.76 -42.9 19.12 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -54.88 -44.22 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.87 -1.144 . . . . 0.0 108.395 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.445 ' O ' ' N ' ' B' ' 61' ' ' ASP . 20.2 mtt -60.23 -33.53 72.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 0.0 109.396 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.37 -27.99 67.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.114 -0.991 . . . . 0.0 109.009 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -92.4 -26.92 17.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 109.57 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.92 -45.78 5.32 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.304 -0.872 . . . . 0.0 110.804 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 34.6 t0 -55.27 111.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.398 -1.439 . . . . 0.0 109.788 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -89.52 -45.43 9.41 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -79.62 -3.03 45.29 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.3 43.51 98.48 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.524 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 51.5 p30 -92.23 -5.82 51.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.517 -0.99 . . . . 0.0 110.289 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 75.01 0.27 60.08 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.6 mt-10 -126.51 171.39 11.11 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' B' ' 69' ' ' ASP . 23.2 m -127.57 94.28 3.93 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.147 -0.97 . . . . 0.0 110.666 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 68' ' ' CYS . 14.8 p30 -53.07 -170.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.694 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.2 p90 -77.9 -29.75 50.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 111.067 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -68.54 -42.61 78.18 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.129 -0.982 . . . . 0.0 110.94 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.18 -31.87 16.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.694 -1.254 . . . . 0.0 109.361 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -53.82 -44.71 70.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.575 -1.328 . . . . 0.0 108.072 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -61.92 -45.32 94.23 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.2 -21.97 3.88 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.592 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -71.08 -50.84 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.68 -1.208 . . . . 0.0 108.111 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.2 t -56.67 -34.17 41.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 108.762 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.621 0.724 . . . . 0.0 109.086 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.5 ttp -75.09 -25.68 58.74 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' B' ' 44' ' ' LEU . 93.2 t -86.67 -35.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.48 ' N ' ' O ' ' B' ' 77' ' ' VAL . 15.3 m -73.76 -33.73 64.41 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 17.8 p -68.85 -36.35 78.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 110.798 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.66 83.49 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.685 -1.259 . . . . 0.0 109.005 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 16.0 p -79.72 -3.26 46.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.264 -0.898 . . . . 0.0 109.515 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -103.19 -37.83 7.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.362 -0.836 . . . . 0.0 109.371 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.73 -26.33 34.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.25 -57.37 11.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 0.0 109.366 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.93 -29.27 70.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.46 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -95.45 27.75 3.23 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.214 -0.929 . . . . 0.0 109.679 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -69.2 100.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.062 -1.024 . . . . 0.0 109.211 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.465 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 32.8 tpp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 p -78.67 79.47 5.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.061 -1.025 . . . . 0.0 109.407 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -55.44 -33.22 63.4 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.603 -0.685 . . . . 0.0 109.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.937 HD13 HD21 ' B' ' 40' ' ' LEU . 2.5 mt -72.67 -22.41 60.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 tp10 -76.38 -34.19 58.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.679 -1.263 . . . . 0.0 108.98 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -68.87 -46.38 68.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.987 . . . . 0.0 108.638 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -56.84 -54.53 45.42 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 14.7 mtt -49.42 -40.61 37.09 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.568 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.64 -49.55 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.0 109.415 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.213 -0.929 . . . . 0.0 109.18 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -79.79 -53.72 6.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 0.0 110.378 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.1 mt -46.07 -33.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.218 -0.926 . . . . 0.0 109.55 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.48 -50.46 31.35 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -75.81 -26.27 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.19 -0.944 . . . . 0.0 109.117 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.2 m-85 -69.2 -53.5 19.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.24 -26.03 59.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 110.76 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.09 -40.22 82.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.562 -1.336 . . . . 0.0 110.072 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.545 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 12.7 m-85 -90.72 -54.59 3.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 109.066 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -56.62 -22.21 32.54 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.84 -1.99 59.78 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 46.3 ttt180 -61.68 -44.3 97.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.873 -1.369 . . . . 0.0 108.399 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.95 169.67 22.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.527 -0.733 . . . . 0.0 109.667 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.4 -167.98 18.31 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -49.51 -58.29 5.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.968 . . . . 0.0 109.265 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -179.66 -42.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.417 ' NE2' ' OE1' ' B' ' 89' ' ' GLU . 12.1 m-70 -133.29 58.18 1.78 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.458 -0.776 . . . . 0.0 110.496 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 18' ' ' SER . 9.0 tppt? -131.14 143.98 51.03 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.53 130.1 41.07 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.053 -1.029 . . . . 0.0 110.574 -178.653 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 66.9 mttt -107.87 153.84 22.44 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.7 ttpp -45.5 -46.96 14.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.961 -1.087 . . . . 0.0 109.321 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -48.85 -11.6 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.331 -0.856 . . . . 0.0 109.467 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' LEU . 36.1 mt-10 -97.26 -37.05 10.22 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 109.347 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -59.64 4.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.809 -1.182 . . . . 0.0 108.335 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -56.75 -36.91 70.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 85.8 mt-10 -82.35 -37.07 26.21 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.104 -0.998 . . . . 0.0 110.136 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.6 tp -71.99 -29.72 64.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.147 -0.971 . . . . 0.0 109.26 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -78.13 -41.08 26.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.629 -0.669 . . . . 0.0 110.458 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -81.84 -27.21 33.68 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.156 -0.965 . . . . 0.0 112.209 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.545 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 1.6 p-10 -90.08 -43.17 10.67 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.575 -1.328 . . . . 0.0 111.79 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 32.9 mm-40 -102.39 -61.1 1.44 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.984 -1.072 . . . . 0.0 110.473 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.932 HD21 HD13 ' B' ' 3' ' ' LEU . 3.2 mt -78.11 34.96 0.2 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -17.94 33.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.031 . . . . 0.0 110.084 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.23 -18.46 18.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.945 -1.097 . . . . 0.0 109.737 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CZ ' ' CD ' ' B' ' 4' ' ' GLU . 49.7 m-85 -113.07 -37.36 4.8 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.406 -0.809 . . . . 0.0 109.546 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -110.22 130.23 55.58 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -52.17 135.21 32.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.94 103.14 3.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.845 . . . . 0.0 108.971 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 pt -63.25 140.31 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.057 -1.027 . . . . 0.0 109.895 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -108.41 -18.11 13.83 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.97 148.23 35.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' ASP . 70.7 mt-30 -83.92 -19.98 33.79 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.213 -0.93 . . . . 0.0 109.23 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -41.06 -46.01 2.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -0.857 . . . . 0.0 111.971 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.01 -37.26 53.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.585 -1.322 . . . . 0.0 107.965 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -24.24 34.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 30.5 t0 -77.33 -33.15 55.57 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -80.08 -49.27 12.0 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -50.62 -44.06 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.781 -1.199 . . . . 0.0 108.614 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.5 mtt -57.95 -37.86 74.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.391 -0.818 . . . . 0.0 109.035 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.47 -35.03 73.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 m -87.02 -33.8 19.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -92.52 -47.92 6.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.01 -1.056 . . . . 0.0 110.429 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 4.7 t0 -55.04 108.86 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.261 -1.524 . . . . 0.0 108.631 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -84.42 -50.15 8.03 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.74 -1.19 23.77 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 53.55 46.18 66.13 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 40.2 p-10 -93.94 -5.55 47.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.577 -0.955 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.49 -0.56 89.25 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 17.6 mp0 -131.18 162.64 29.48 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 34.5 m -116.76 99.26 7.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.352 -0.843 . . . . 0.0 111.389 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 33.5 t0 -51.76 -176.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.7 OUTLIER -73.95 -29.14 61.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.515 -1.366 . . . . 0.0 111.314 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.0 -39.7 65.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.865 -1.147 . . . . 0.0 111.857 -177.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 4.7 pt-20 -89.18 -32.92 17.23 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.19 -1.569 . . . . 0.0 108.229 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' HD22 ' A' ' 27' ' ' LEU . 1.5 t80 -53.07 -46.62 68.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.069 -1.02 . . . . 0.0 108.34 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.448 ' HE2' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -59.95 -43.86 94.74 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.257 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.85 -20.57 2.31 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.159 -1.016 . . . . 0.0 109.368 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 80' ' ' VAL . 25.7 t80 -72.01 -52.2 18.17 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.39 -36.23 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 82' ' ' THR . 8.5 t -65.21 -31.18 72.21 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.958 0.885 . . . . 0.0 108.858 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.17 -31.78 61.09 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.562 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.14 -31.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.648 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -36.75 67.71 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 78' ' ' SER . 7.8 p -66.31 -39.45 89.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.187 -0.945 . . . . 0.0 110.478 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.17 95.71 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.68 -1.262 . . . . 0.0 108.745 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.16 -23.77 67.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.49 -34.39 12.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.435 -0.791 . . . . 0.0 108.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 82' ' ' THR . 36.2 tt0 -75.12 -48.38 24.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.512 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -51.87 -45.2 64.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.67 -12.2 2.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.399 -0.813 . . . . 0.0 109.858 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' OE1' ' NE2' ' B' ' 25' ' ' HIS . 89.4 mt-10 -105.71 -14.28 15.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.308 -0.87 . . . . 0.0 109.789 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -57.7 102.26 0.09 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.091 -1.006 . . . . 0.0 109.084 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.346 179.748 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p -78.62 79.54 5.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.044 -1.035 . . . . 0.0 109.432 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -33.18 64.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.684 -0.635 . . . . 0.0 109.373 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.932 HD13 HD21 ' A' ' 40' ' ' LEU . 2.6 mt -72.41 -22.64 61.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -0.963 . . . . 0.0 109.981 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.476 ' CD ' ' CZ ' ' A' ' 43' ' ' PHE . 30.3 tp10 -76.18 -34.35 59.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.786 -1.197 . . . . 0.0 109.042 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -69.01 -46.21 68.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 108.589 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.467 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -57.02 -54.52 45.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 14.3 mtt -49.27 -40.67 35.22 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.382 -0.823 . . . . 0.0 109.61 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.46 -49.61 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.21 69.18 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.302 -0.874 . . . . 0.0 109.195 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 6' ' ' ALA . 0.9 OUTLIER -79.8 -53.87 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 110.407 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.98 -33.29 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.39 -50.64 30.02 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.394 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.6 -26.33 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.319 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.2 m-85 -69.08 -53.4 20.51 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.985 -1.072 . . . . 0.0 110.556 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -26.12 60.1 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.717 -1.239 . . . . 0.0 110.755 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.12 -40.23 82.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.557 -1.339 . . . . 0.0 110.109 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.535 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 12.8 m-85 -90.72 -54.86 3.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.941 -1.099 . . . . 0.0 109.042 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.9 OUTLIER -56.43 -22.17 30.09 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.74 -2.13 59.9 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 44.7 ttt180 -61.77 -44.2 97.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.853 -1.381 . . . . 0.0 108.487 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.95 169.77 21.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.606 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.15 -167.99 18.61 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.48 -58.21 5.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.578 -0.954 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -179.74 -42.85 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.464 ' NE2' ' OE1' ' A' ' 89' ' ' GLU . 12.1 m-70 -133.3 58.3 1.77 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.396 -0.815 . . . . 0.0 110.451 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.428 ' N ' ' OG ' ' B' ' 18' ' ' SER . 9.1 tppt? -131.35 143.95 50.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -94.67 130.29 41.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.15 -0.969 . . . . 0.0 110.565 -178.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.504 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 67.9 mttt -108.0 153.86 22.48 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.2 ttpp -45.54 -46.85 14.3 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.994 -1.066 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -49.07 -11.29 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.478 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 29' ' ' LYS . 36.0 mt-10 -97.48 -37.06 10.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.37 -0.831 . . . . 0.0 109.335 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -62.89 -59.89 4.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.852 -1.155 . . . . 0.0 108.277 178.423 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -56.53 -37.0 69.88 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.485 -0.759 . . . . 0.0 109.995 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 86.5 mt-10 -82.43 -36.91 26.19 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.117 -0.989 . . . . 0.0 110.18 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 31' ' ' GLU . 63.9 tp -71.92 -30.12 65.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.98 -40.99 27.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.653 -0.654 . . . . 0.0 110.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -81.9 -27.03 33.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.122 -0.986 . . . . 0.0 112.1 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 1.6 p-10 -90.26 -43.25 10.51 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.628 -1.295 . . . . 0.0 111.836 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 33.1 mm-40 -102.3 -60.88 1.47 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.997 -1.064 . . . . 0.0 110.504 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.937 HD21 HD13 ' A' ' 3' ' ' LEU . 3.1 mt -78.25 34.97 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.108 -0.995 . . . . 0.0 109.587 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.938 -1.102 . . . . 0.0 110.135 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.33 -18.26 18.43 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.992 -1.067 . . . . 0.0 109.874 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 4' ' ' GLU . 49.5 m-85 -113.3 -37.62 4.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.527 -0.733 . . . . 0.0 109.441 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 40' ' ' LEU . 15.3 tp -109.8 130.25 55.54 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -52.22 135.23 32.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.023 -1.048 . . . . 0.0 109.669 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.02 103.14 3.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.905 . . . . 0.0 108.924 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 pt -63.18 140.45 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.105 -0.997 . . . . 0.0 109.875 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -108.64 -18.08 13.81 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.06 148.36 35.36 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' B' ' 54' ' ' ASP . 73.2 mt-30 -83.87 -20.19 33.53 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -40.93 -46.02 2.69 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.466 -0.771 . . . . 0.0 111.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.1 m -73.14 -37.08 51.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.521 -1.362 . . . . 0.0 107.873 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.404 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -65.62 -24.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.6 t0 -77.15 -33.45 56.64 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -79.66 -49.33 12.29 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -50.71 -44.01 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.814 -1.179 . . . . 0.0 108.666 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 19.8 mtt -57.94 -37.7 74.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.798 . . . . 0.0 109.083 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.48 -34.94 73.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.412 -0.805 . . . . 0.0 109.344 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 27.8 m -87.24 -33.65 19.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.839 . . . . 0.0 110.036 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.69 -48.0 6.8 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.086 -1.009 . . . . 0.0 110.463 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 4.7 t0 -54.98 108.74 0.43 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.259 -1.526 . . . . 0.0 108.662 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -84.36 -50.29 7.95 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.69 -1.29 24.13 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 53.72 46.16 67.58 Favored Glycine 0 N--CA 1.485 1.967 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 40.3 p-10 -94.01 -5.65 47.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.459 -1.024 . . . . 0.0 109.412 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.7 -0.63 89.18 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.4 mp0 -131.11 162.51 29.71 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 34.2 m -116.67 99.62 7.26 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.388 -0.82 . . . . 0.0 111.3 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 34.0 t0 -52.01 -176.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.657 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.99 -29.42 61.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.461 -1.399 . . . . 0.0 111.306 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.494 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -72.62 -39.74 67.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.794 -1.191 . . . . 0.0 111.951 -177.629 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.6 pt-20 -89.14 -33.02 17.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.262 -1.524 . . . . 0.0 108.282 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' B' ' 27' ' ' LEU . 1.5 t80 -53.15 -46.66 68.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 108.285 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.443 ' HE2' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -59.77 -44.09 94.04 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 178.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.63 -20.61 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.363 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.407 ' O ' HG13 ' B' ' 80' ' ' VAL . 25.4 t80 -72.08 -52.27 17.64 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -53.23 -36.24 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 122.019 0.914 . . . . 0.0 108.638 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.655 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -65.08 -31.32 72.47 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.883 0.849 . . . . 0.0 108.83 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.15 -31.69 61.11 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.755 -0.591 . . . . 0.0 109.564 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.407 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.1 -32.16 6.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.664 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -72.75 -36.94 67.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 78' ' ' SER . 7.4 p -66.08 -39.65 90.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 110.431 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.3 96.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.776 -1.203 . . . . 0.0 108.73 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.12 -23.56 67.17 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.523 -0.871 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.57 -34.47 12.64 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 82' ' ' THR . 36.6 tt0 -75.13 -48.3 24.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.558 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -51.96 -45.0 64.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.041 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -12.51 3.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.363 -0.836 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' HIS . 92.2 mt-10 -105.52 -14.15 15.39 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.308 -0.87 . . . . 0.0 109.784 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.63 102.09 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.072 -1.017 . . . . 0.0 109.028 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.322 179.774 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 p -86.58 84.06 7.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.356 -0.84 . . . . 0.0 109.898 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 44.3 mt-10 -59.81 -29.37 68.2 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.744 HD13 HD21 ' B' ' 40' ' ' LEU . 1.5 mt -73.38 -25.77 60.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -75.28 -31.61 60.78 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.53 -1.356 . . . . 0.0 109.557 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -63.85 -43.08 97.22 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.19 -0.944 . . . . 0.0 108.588 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.91 64.08 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 109.811 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.8 mtt -52.26 -43.3 64.31 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.32 -49.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.265 -0.897 . . . . 0.0 109.736 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' B' ' 2' ' ' GLU . . . -58.13 -30.71 66.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.52 -0.737 . . . . 0.0 109.224 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.34 -52.59 7.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.09 -1.006 . . . . 0.0 110.287 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mt -45.74 -30.54 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.145 -0.972 . . . . 0.0 109.538 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 99.2 m-20 -76.14 -49.08 18.3 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.66 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -78.91 -26.8 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.149 -0.969 . . . . 0.0 109.031 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.98 -53.72 13.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -71.21 -31.53 67.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 0.0 110.743 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 37.3 mm-40 -67.94 -36.97 81.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.839 -1.163 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -93.92 -56.96 2.69 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.009 . . . . 0.0 109.305 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -52.95 -23.36 7.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.659 -1.275 . . . . 0.0 108.253 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.82 -3.16 55.08 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 34' ' ' GLU . 44.6 ttt85 -55.2 -37.59 67.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.514 . . . . 0.0 108.587 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -170.38 172.98 5.85 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.471 -0.768 . . . . 0.0 109.745 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.37 -177.33 26.0 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -51.28 -58.75 5.36 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.188 -1.183 . . . . 0.0 108.535 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 169.13 144.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 41.53 46.94 3.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.558 -0.714 . . . . 0.0 111.984 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -138.47 147.44 43.23 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.559 -1.338 . . . . 0.0 107.542 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -97.79 125.13 42.46 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.251 -0.906 . . . . 0.0 112.169 -177.085 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -110.27 159.55 17.31 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -51.04 -41.1 59.64 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.799 -1.188 . . . . 0.0 109.681 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -54.88 -18.48 4.96 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 109.635 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' HB2' HD13 ' A' ' 27' ' ' LEU . 72.5 mt-10 -102.69 -34.42 9.06 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -49.37 56.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.378 -0.826 . . . . 0.0 109.085 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.31 -36.94 74.62 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 50.4 tt0 -76.94 -32.22 57.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.833 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 49.8 tp -73.76 -33.63 64.36 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.922 -1.111 . . . . 0.0 108.708 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.14 -37.71 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.041 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.55 -22.52 47.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.971 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -91.86 -43.89 9.24 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.978 -1.076 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.8 mm-40 -110.28 -61.58 1.64 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.87 -1.144 . . . . 0.0 110.818 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.779 HD21 HD13 ' B' ' 3' ' ' LEU . 3.9 mt -75.11 31.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.9 -1.125 . . . . 0.0 110.258 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' GLU . 23.8 t -85.26 -19.47 31.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.964 -1.085 . . . . 0.0 108.595 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.09 -21.13 21.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.305 -0.872 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -108.97 -32.99 7.04 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.55 129.18 56.61 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.96 140.94 18.96 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.907 -1.12 . . . . 0.0 109.759 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.89 103.54 0.46 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.904 -1.122 . . . . 0.0 109.357 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.85 132.94 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 109.707 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -105.62 -12.97 15.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.54 122.48 38.3 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' VAL . 22.0 pt20 -60.2 -17.08 38.83 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.308 -0.87 . . . . 0.0 109.85 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.97 -40.18 4.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.061 . . . . 0.0 111.278 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.5 p -75.25 -37.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -64.34 -25.16 37.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.45 -34.11 54.58 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -74.33 -55.22 6.26 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -52.08 -43.27 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ASP . 20.2 mmm -62.35 -27.81 69.32 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.55 -38.51 84.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.27 -26.94 38.71 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.823 -0.548 . . . . 0.0 109.92 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.53 -44.19 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.297 -0.877 . . . . 0.0 110.678 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' MET . 53.7 t0 -55.41 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.408 -1.432 . . . . 0.0 109.105 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.21 -38.43 13.47 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.1 p30 -76.01 -4.91 43.79 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.14 45.8 93.52 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -105.0 -4.48 21.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.63 -0.924 . . . . 0.0 110.182 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.16 -3.76 56.91 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -120.88 166.57 13.61 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 69' ' ' ASP . 11.5 m -126.96 92.07 3.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.385 -0.822 . . . . 0.0 110.145 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -53.05 -175.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.65 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -69.63 -28.75 66.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.11 -0.994 . . . . 0.0 110.542 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -68.33 -45.22 73.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 111.701 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.65 -32.56 16.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.379 -1.451 . . . . 0.0 108.775 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -51.77 -45.06 63.63 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.835 -1.165 . . . . 0.0 108.822 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.21 -41.46 90.13 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.07 5.24 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.159 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.27 -52.14 30.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.56 -31.89 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.498 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.661 ' O ' HG23 ' A' ' 82' ' ' THR . 7.4 p -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.791 -1.193 . . . . 0.0 107.836 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.58 -31.63 57.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.686 -0.633 . . . . 0.0 109.5 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.76 -32.03 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -68.84 -38.21 79.67 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 78' ' ' SER . 4.9 p -61.43 -37.49 83.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.57 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.43 70.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.688 -1.257 . . . . 0.0 107.95 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.5 t -53.47 -37.78 62.99 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -73.76 -28.76 61.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -75.08 -49.23 20.35 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.565 -0.71 . . . . 0.0 109.545 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -53.64 -52.31 60.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.109 -0.994 . . . . 0.0 108.991 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.07 -64.26 0.99 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.997 -1.064 . . . . 0.0 109.249 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -82.74 47.22 1.16 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -0.89 . . . . 0.0 109.701 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -70.13 100.32 1.63 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.247 -0.908 . . . . 0.0 109.126 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.33 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 9.0 ttt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.7 p -86.97 84.19 7.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.274 -0.891 . . . . 0.0 109.884 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.483 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 48.2 mt-10 -59.86 -29.42 68.28 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.516 0.674 . . . . 0.0 109.485 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 40' ' ' LEU . 1.4 mt -73.19 -25.76 60.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 110.253 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -75.58 -31.54 60.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.595 -1.316 . . . . 0.0 109.612 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -63.92 -43.17 96.72 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.12 67.51 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.044 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.7 mtt -53.2 -42.55 66.39 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.321 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.08 -49.01 46.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.126 -0.984 . . . . 0.0 109.783 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 2' ' ' GLU . . . -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.109 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.55 -52.66 7.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.963 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.9 mt -45.6 -31.03 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.166 -0.959 . . . . 0.0 109.538 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 99.5 m-20 -75.76 -49.09 19.18 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.703 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -79.26 -26.43 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.089 -1.007 . . . . 0.0 109.043 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.87 -54.86 9.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 109.235 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -70.46 -31.59 68.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.736 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' B' ' 12' ' ' ASP . 36.1 mm-40 -68.05 -36.85 80.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.842 -1.161 . . . . 0.0 109.996 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.92 -56.74 2.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.035 -1.041 . . . . 0.0 109.217 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.8 m -53.14 -23.23 7.72 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.735 -1.228 . . . . 0.0 108.33 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.77 -3.48 54.99 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -55.05 -37.38 66.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.624 -1.515 . . . . 0.0 108.497 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -170.91 172.81 5.41 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.96 -177.29 25.26 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 36.3 t0 -51.6 -58.19 7.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.151 -1.205 . . . . 0.0 108.575 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 5.4 mmtt 168.65 144.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 41.72 47.08 3.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.631 -0.668 . . . . 0.0 111.868 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -138.79 147.55 42.7 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -98.25 124.79 43.05 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.228 -0.92 . . . . 0.0 112.221 -176.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -109.95 159.7 17.03 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.98 -41.05 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.874 -1.141 . . . . 0.0 109.76 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -55.3 -18.15 5.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.264 -0.897 . . . . 0.0 109.642 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' B' ' 27' ' ' LEU . 71.3 mt-10 -102.67 -34.94 8.87 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -49.73 55.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 109.294 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -69.77 -37.17 76.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.97 -32.22 57.11 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.856 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 50.8 tp -73.51 -33.93 65.02 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.002 -1.061 . . . . 0.0 108.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.85 -38.11 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.426 -0.797 . . . . 0.0 108.997 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -78.22 -22.57 48.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.953 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.16 -43.63 9.24 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.906 -1.121 . . . . 0.0 111.975 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' B' ' 41' ' ' SER . 37.4 mm-40 -110.87 -61.41 1.69 Allowed 'General case' 0 N--CA 1.506 2.365 0 O-C-N 120.83 -1.169 . . . . 0.0 110.722 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 3' ' ' LEU . 3.4 mt -74.6 31.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.911 -1.118 . . . . 0.0 110.201 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' B' ' 39' ' ' GLU . 20.7 t -85.35 -19.41 31.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.694 -1.253 . . . . 0.0 108.658 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.02 -21.32 21.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 109.446 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -108.82 -32.05 7.45 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.19 128.68 56.48 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.07 141.27 18.66 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.983 -1.073 . . . . 0.0 109.677 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.96 103.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 109.478 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 47' ' ' ILE . 6.0 pt -65.88 132.42 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.998 -1.064 . . . . 0.0 109.782 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -105.05 -12.71 16.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -123.81 121.94 36.72 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.4 pt20 -59.47 -17.56 32.36 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.285 -0.885 . . . . 0.0 109.982 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -43.54 -40.18 3.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.101 -0.999 . . . . 0.0 111.322 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.433 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.4 p -75.44 -37.4 37.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.461 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -64.03 -25.4 38.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 106.087 -1.819 . . . . 0.0 106.087 178.391 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.07 -33.69 57.11 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -74.68 -55.28 6.05 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -51.72 -44.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 22.5 mmm -61.87 -27.82 69.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.77 -38.4 83.37 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.39 -27.22 38.19 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.759 -0.588 . . . . 0.0 110.018 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.4 mm? -97.86 -44.11 6.84 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.254 -0.904 . . . . 0.0 110.699 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' B' ' 57' ' ' MET . 53.9 t0 -55.6 99.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.334 -1.479 . . . . 0.0 109.109 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.33 -38.7 13.18 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -75.86 -5.12 44.49 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.62 45.39 94.73 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -104.61 -4.22 22.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.761 -0.847 . . . . 0.0 110.054 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.51 -2.66 57.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -121.24 166.14 14.43 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' B' ' 69' ' ' ASP . 9.9 m -127.35 92.09 3.44 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.273 -0.892 . . . . 0.0 110.155 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -53.0 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -69.7 -29.02 66.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.084 -1.01 . . . . 0.0 110.406 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.8 -45.21 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.999 -1.063 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.9 -32.55 15.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.387 -1.446 . . . . 0.0 108.957 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -51.89 -44.75 63.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.861 -1.15 . . . . 0.0 108.667 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 4.4 ttt -66.19 -41.62 89.98 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.56 -23.14 5.81 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.024 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -68.98 -52.22 31.25 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.38 -32.01 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.472 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 10.8 p -64.45 -30.85 71.88 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.681 -1.262 . . . . 0.0 107.805 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.13 -31.65 58.72 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.655 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.42 -32.9 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -68.19 -38.07 81.59 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.713 HG23 ' O ' ' B' ' 78' ' ' SER . 7.2 p -61.96 -37.47 84.86 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.33 70.27 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.496 -1.377 . . . . 0.0 107.89 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 25.8 t -53.21 -37.68 62.23 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -73.86 -28.74 61.73 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -74.83 -49.43 20.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.631 -0.668 . . . . 0.0 109.382 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -53.42 -52.32 59.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.285 -0.885 . . . . 0.0 109.12 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -62.56 -64.36 0.95 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.05 -1.031 . . . . 0.0 109.143 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -82.67 47.14 1.15 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.364 -0.835 . . . . 0.0 109.805 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.42 100.25 1.73 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.281 -0.887 . . . . 0.0 109.082 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.274 179.71 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.424 ' H2 ' ' HB2' ' A' ' 4' ' ' GLU . 6.9 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p -107.33 -171.26 1.85 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.363 -0.836 . . . . 0.0 109.928 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -18.77 2.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.62 -0.675 . . . . 0.0 109.348 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -84.97 -26.97 26.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.389 -0.82 . . . . 0.0 110.117 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' HB2' ' H2 ' ' A' ' 0' ' ' MET . 23.1 tt0 -78.3 -25.03 46.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -74.88 -50.54 16.6 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -54.42 46.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.496 -0.752 . . . . 0.0 110.209 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 8.1 mtm -54.67 -36.85 65.05 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.334 -0.854 . . . . 0.0 109.936 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.48 -47.5 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.891 -1.131 . . . . 0.0 108.724 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.14 -36.64 65.99 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.72 -0.612 . . . . 0.0 109.91 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.6 mp -79.91 -49.02 12.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.934 -1.104 . . . . 0.0 111.146 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . 53.3 mt -44.4 -29.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.719 -1.238 . . . . 0.0 109.731 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -79.16 -50.59 10.75 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.116 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -74.33 -27.07 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 109.208 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -73.22 -43.57 61.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.688 -0.632 . . . . 0.0 109.75 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.489 ' ND1' ' NE2' ' B' ' 85' ' ' HIS . 3.1 t-160 -78.12 -32.93 50.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.812 -1.18 . . . . 0.0 110.659 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -67.8 -37.61 82.23 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.951 -1.093 . . . . 0.0 110.741 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -86.47 -54.66 4.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.81 -1.181 . . . . 0.0 108.595 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 p -55.52 -21.84 18.64 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 1.78 57.74 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -66.95 -47.03 72.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.921 -1.341 . . . . 0.0 109.26 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.99 151.26 29.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.411 -0.806 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 100.16 -160.06 19.33 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 6.2 t70 -49.52 -93.81 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.448 -1.031 . . . . 0.0 109.115 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 16.6 tptm -171.95 -8.95 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.377 -0.827 . . . . 0.0 109.809 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 12.4 m-70 -142.92 35.02 1.38 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.657 -1.277 . . . . 0.0 111.25 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.28 47.11 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 73' ' ' PHE . 3.8 mp -95.01 138.51 32.64 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.396 1.093 . . . . 0.0 110.511 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.4 mttm -108.84 156.59 19.48 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.526 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 31' ' ' GLU . 47.2 mtmt -44.83 -49.27 10.89 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.997 -1.064 . . . . 0.0 109.204 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -49.8 -15.76 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 0.0 109.051 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 29' ' ' LYS . 39.0 mt-10 -101.63 -47.57 4.59 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.322 -0.861 . . . . 0.0 109.513 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.98 -36.64 84.2 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.325 -0.859 . . . . 0.0 110.077 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.71 -36.72 25.59 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.636 -1.29 . . . . 0.0 108.164 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -77.15 -30.8 55.21 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.021 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.9 tp -72.02 -30.23 64.98 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 47' ' ' ILE . 75.1 mt -76.31 -39.15 34.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.249 -0.907 . . . . 0.0 109.418 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -82.69 -24.22 33.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 110.489 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.57 -44.17 7.62 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.908 -1.12 . . . . 0.0 111.168 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 1.5 mp0 -99.35 -69.53 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.104 -0.997 . . . . 0.0 110.054 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -73.91 38.92 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.041 -1.037 . . . . 0.0 109.325 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -92.91 -19.44 21.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.741 -1.224 . . . . 0.0 110.146 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.77 -20.32 21.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.888 -1.132 . . . . 0.0 108.938 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.6 -39.97 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 80' ' ' VAL . 6.6 tp -101.97 138.18 39.28 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' ILE . 34.8 mt-10 -48.17 132.93 15.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.51 84.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.83 . . . . 0.0 109.886 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -56.25 123.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.951 -1.093 . . . . 0.0 108.59 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -115.07 -16.41 11.62 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -99.68 151.98 20.6 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -93.21 -29.04 15.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.116 -0.99 . . . . 0.0 109.781 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -48.35 -30.92 5.41 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.221 -0.924 . . . . 0.0 110.052 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 53' ' ' VAL . 13.8 p -75.6 -37.98 37.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -67.7 -23.2 29.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.65 -30.82 57.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.9 tptt -83.34 -52.5 6.49 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -46.75 -43.0 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.781 -1.199 . . . . 0.0 108.863 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 6.9 mtt -64.27 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' LYS . 25.1 tt0 -60.98 -32.03 71.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.008 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.9 m -90.17 -33.04 16.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.524 -0.735 . . . . 0.0 109.432 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -89.0 -43.95 10.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.185 -0.947 . . . . 0.0 110.231 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.2 t0 -55.97 96.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.556 -1.34 . . . . 0.0 109.854 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.62 -36.87 14.15 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.9 p-10 -82.01 -3.56 54.76 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.93 45.54 95.44 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' GLU . 53.5 p30 -99.08 -6.04 29.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.477 -1.014 . . . . 0.0 109.554 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . 66.85 -1.25 6.04 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' ASP . 2.3 mp0 -122.96 176.64 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 69' ' ' ASP . 68.8 m -128.01 87.56 2.63 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.264 -0.897 . . . . 0.0 110.333 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 35.6 t70 -52.49 -173.56 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.285 -0.884 . . . . 0.0 108.668 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.689 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.0 OUTLIER -74.66 -30.14 61.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.4 -1.437 . . . . 0.0 111.264 -179.042 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -70.53 -39.3 74.13 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.746 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 33.0 tt0 -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.918 -1.114 . . . . 0.0 109.115 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 27' ' ' LEU . 4.4 t80 -53.58 -45.1 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.064 -1.023 . . . . 0.0 109.057 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 178.8 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.55 -20.04 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.558 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -75.23 -51.83 12.37 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.348 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 81' ' ' THR . 78.4 t -54.74 -34.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.009 -1.057 . . . . 0.0 108.556 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 82' ' ' THR . 4.1 t -66.24 -28.95 69.12 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.048 -1.032 . . . . 0.0 108.336 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.8 -31.36 59.4 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.152 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -87.8 -31.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 178.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 30.0 m -69.5 -38.23 77.53 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 78' ' ' SER . 7.7 p -64.45 -39.96 94.81 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.337 -0.852 . . . . 0.0 110.705 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.05 73.07 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.559 -1.338 . . . . 0.0 108.471 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -19.92 53.46 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.392 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' ND1' ' B' ' 15' ' ' HIS . 9.9 t-160 -86.12 -38.43 17.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.291 -0.881 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.33 -24.94 50.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 109.554 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.26 -41.39 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.242 -0.911 . . . . 0.0 109.31 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' C ' ' H ' ' A' ' 90' ' ' HIS . 80.6 t80 -58.19 -67.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.96 20.75 0.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 0.0 110.469 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 88' ' ' PHE . 13.4 t-160 -67.29 101.86 0.99 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.91 -1.119 . . . . 0.0 108.991 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.33 179.773 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.421 ' H2 ' ' HB2' ' B' ' 4' ' ' GLU . 6.6 ptp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.1 p -106.98 -171.26 1.85 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.495 -0.753 . . . . 0.0 110.011 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -52.99 -18.77 2.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.66 -0.65 . . . . 0.0 109.328 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.736 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.8 mm? -85.02 -26.93 26.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 0.0 110.116 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.421 ' HB2' ' H2 ' ' B' ' 0' ' ' MET . 23.1 tt0 -78.41 -25.16 46.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.835 -1.166 . . . . 0.0 109.094 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -74.65 -50.58 17.19 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -54.05 50.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.221 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.412 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.8 mtm -54.88 -36.7 65.41 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.389 -0.82 . . . . 0.0 109.928 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.7 -47.35 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.119 . . . . 0.0 108.73 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.03 -36.79 65.89 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.616 -0.678 . . . . 0.0 110.014 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 11' ' ' ILE . 7.6 mp -79.81 -49.05 12.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 0.0 111.112 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.2 mt -44.31 -28.99 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 120.775 -1.203 . . . . 0.0 109.789 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -79.21 -50.6 10.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.004 . . . . 0.0 109.038 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 -27.08 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.464 -0.772 . . . . 0.0 109.207 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -73.16 -43.58 61.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.571 -0.705 . . . . 0.0 109.682 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.458 ' ND1' ' NE2' ' A' ' 85' ' ' HIS . 3.0 t-160 -78.07 -32.96 51.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.839 -1.163 . . . . 0.0 110.651 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.7 -37.65 82.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.787 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.49 -54.77 4.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 0.0 108.534 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -55.31 -22.05 17.26 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.99 1.75 57.91 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -66.84 -47.03 73.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.868 -1.372 . . . . 0.0 109.241 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.98 151.37 29.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 109.452 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 100.01 -159.8 19.45 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 6.2 t70 -49.75 -93.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.411 -1.052 . . . . 0.0 109.137 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 16.6 tptm -171.77 -8.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.913 . . . . 0.0 109.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 12.8 m-70 -142.76 34.97 1.41 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.682 -1.261 . . . . 0.0 111.411 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.34 47.17 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' B' ' 73' ' ' PHE . 3.8 mp -95.1 138.51 32.71 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 122.412 1.101 . . . . 0.0 110.437 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' B' ' 31' ' ' GLU . 41.6 mttm -109.0 156.5 19.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.492 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' B' ' 31' ' ' GLU . 46.8 mtmt -44.73 -49.46 10.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.921 -1.112 . . . . 0.0 109.166 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -49.6 -15.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.443 -0.786 . . . . 0.0 109.043 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 35' ' ' LEU . 40.1 mt-10 -101.64 -47.62 4.58 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.401 -0.812 . . . . 0.0 109.558 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.18 -36.33 83.29 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.42 -0.8 . . . . 0.0 110.042 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.81 -36.73 25.31 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.601 -1.312 . . . . 0.0 108.132 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.19 -30.69 54.93 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.991 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.2 tp -72.32 -30.29 64.63 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.734 HG21 HD12 ' B' ' 47' ' ' ILE . 74.3 mt -76.04 -39.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.306 -0.872 . . . . 0.0 109.414 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -82.79 -24.34 33.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.063 -1.023 . . . . 0.0 110.422 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.44 -44.36 7.57 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.966 -1.084 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp0 -99.2 -69.46 0.76 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.062 -1.024 . . . . 0.0 110.078 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.97 38.79 0.11 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.83 -19.44 21.72 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.744 -1.222 . . . . 0.0 110.161 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -91.89 -20.2 21.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.968 -1.083 . . . . 0.0 108.925 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 -39.85 5.24 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' B' ' 80' ' ' VAL . 6.6 tp -102.11 138.18 39.39 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 47' ' ' ILE . 34.6 mt-10 -48.2 132.89 15.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.328 -0.858 . . . . 0.0 109.496 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.37 84.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.734 HD12 HG21 ' B' ' 36' ' ' ILE . 6.6 mt -56.21 123.93 8.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 120.998 -1.064 . . . . 0.0 108.59 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.17 -16.23 11.58 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -99.67 151.65 20.97 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -93.18 -28.71 16.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -48.62 -30.85 5.83 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.226 -0.921 . . . . 0.0 109.982 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 53' ' ' VAL . 13.9 p -75.58 -37.89 37.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.435 ' N ' HG13 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -67.74 -23.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.502 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -76.77 -30.8 56.68 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 5.9 tptt -83.13 -52.63 6.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -46.62 -43.14 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.764 -1.21 . . . . 0.0 108.872 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.472 ' O ' ' N ' ' B' ' 61' ' ' ASP . 7.0 mtt -64.25 -31.65 72.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.856 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 24.9 tt0 -61.08 -32.08 71.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.002 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -90.15 -32.93 16.43 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.474 -0.766 . . . . 0.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 60' ' ' LEU . 4.5 mm? -89.14 -43.83 10.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.4 t0 -56.07 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.641 -1.287 . . . . 0.0 109.854 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -90.49 -37.01 14.19 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.3 p-10 -81.95 -3.31 54.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.76 45.54 95.52 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.177 -1.969 . . . . 0.0 108.177 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' B' ' 67' ' ' GLU . 53.7 p30 -99.03 -6.04 29.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -1.045 . . . . 0.0 109.559 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.413 ' O ' ' OE2' ' B' ' 67' ' ' GLU . . . 66.71 -0.9 6.3 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 65' ' ' ASP . 2.4 mp0 -123.1 176.39 6.08 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' B' ' 69' ' ' ASP . 74.8 m -127.87 87.53 2.63 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.262 -0.899 . . . . 0.0 110.345 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 35.6 t70 -52.36 -173.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 108.736 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.693 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -74.58 -30.15 61.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.442 -1.411 . . . . 0.0 111.232 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -70.5 -39.34 74.22 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.23 -0.918 . . . . 0.0 110.687 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 33.3 tt0 -89.44 -35.92 15.74 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.995 -1.066 . . . . 0.0 109.098 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.479 ' CD1' HD22 ' B' ' 27' ' ' LEU . 4.3 t80 -53.57 -45.18 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.031 -1.043 . . . . 0.0 108.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -62.11 -43.4 98.92 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.56 -20.06 1.77 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.593 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -74.96 -52.3 11.51 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.323 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' B' ' 81' ' ' THR . 77.1 t -54.39 -34.51 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 108.68 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 4.4 t -66.37 -29.04 69.13 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.043 -1.036 . . . . 0.0 108.239 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.83 -31.27 59.28 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.114 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -87.9 -31.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 178.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 29.2 m -69.59 -38.24 77.23 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 7.8 p -64.36 -40.05 95.1 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.212 -0.93 . . . . 0.0 110.66 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.9 72.97 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.552 -1.342 . . . . 0.0 108.423 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.16 -19.56 53.74 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.463 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' ND1' ' A' ' 15' ' ' HIS . 10.0 t-160 -86.3 -38.42 17.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 109.543 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.43 -25.05 50.31 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 109.45 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.09 -41.54 73.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.367 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.443 ' C ' ' H ' ' B' ' 90' ' ' HIS . 80.5 t80 -58.12 -66.87 0.41 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.352 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.08 20.75 0.06 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.111 -0.993 . . . . 0.0 110.49 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' B' ' 88' ' ' PHE . 13.2 t-160 -67.25 101.81 0.97 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.012 -1.055 . . . . 0.0 109.009 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.373 179.755 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p -87.03 78.2 9.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.241 -0.912 . . . . 0.0 109.023 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.13 -33.32 26.06 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.253 0.549 . . . . 0.0 109.635 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.99 -20.19 61.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.898 . . . . 0.0 109.991 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -73.93 -35.48 64.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.709 -1.244 . . . . 0.0 108.811 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.56 72.84 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 108.84 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.34 34.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.584 -0.697 . . . . 0.0 110.15 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 3.5 mtm -50.77 -39.67 53.08 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.098 -1.001 . . . . 0.0 109.631 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.67 -43.62 77.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.094 -1.004 . . . . 0.0 109.386 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.86 73.99 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.444 -0.785 . . . . 0.0 110.239 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -80.15 -48.18 13.57 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.777 -1.202 . . . . 0.0 111.024 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.93 -29.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.719 -1.238 . . . . 0.0 109.893 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.28 -51.51 9.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.54 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.16 -25.73 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 108.899 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.85 -48.35 54.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -35.73 62.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.076 -1.015 . . . . 0.0 110.701 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.75 -40.02 94.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.871 -1.143 . . . . 0.0 110.15 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 24.2 m-85 -81.12 -53.16 6.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.987 -1.071 . . . . 0.0 108.4 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -56.79 -29.52 62.75 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 5.66 83.56 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -71.34 -51.96 21.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.96 -1.318 . . . . 0.0 109.277 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.27 168.22 24.68 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.305 -0.872 . . . . 0.0 110.606 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.81 -150.18 23.42 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.2 165.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -1.021 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -97.92 -14.77 20.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.456 -0.778 . . . . 0.0 111.096 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -126.61 27.27 6.13 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.678 -1.263 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -136.88 148.81 47.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 73' ' ' PHE . 5.8 mp -93.11 135.14 34.57 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.293 1.044 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.64 151.79 21.2 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.458 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' GLU . 38.1 mttm -43.68 -51.12 7.29 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.69 -1.256 . . . . 0.0 109.51 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -48.75 -13.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.424 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LYS . 44.0 mt-10 -101.32 -40.42 7.13 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.439 -0.788 . . . . 0.0 109.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.65 -47.78 68.58 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.267 -0.896 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -72.29 -35.79 68.79 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.604 -1.31 . . . . 0.0 108.686 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -76.26 -31.83 58.51 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.13 -0.981 . . . . 0.0 109.801 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 31.1 tp -69.72 -29.16 66.48 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG23 HD23 ' A' ' 44' ' ' LEU . 70.1 mt -77.4 -38.72 26.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.4 t30 -85.51 -27.75 25.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.085 -1.01 . . . . 0.0 111.626 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -86.73 -46.82 9.66 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.592 -1.317 . . . . 0.0 113.278 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 41' ' ' SER . 5.5 tp10 -110.85 -48.24 3.15 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.682 -1.261 . . . . 0.0 109.638 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -79.78 27.9 0.28 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -85.04 -16.54 40.38 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.477 -0.764 . . . . 0.0 110.889 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.4 -24.12 14.58 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.954 -1.092 . . . . 0.0 110.148 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -50.92 3.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.21 -0.931 . . . . 0.0 108.669 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' HD12 ' A' ' 40' ' ' LEU . 47.2 tp -90.85 140.15 30.08 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.002 . . . . 0.0 108.472 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -48.31 131.47 16.62 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 109.617 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -59.76 89.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 110.003 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -63.5 125.44 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -107.58 -17.79 14.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.547 -0.72 . . . . 0.0 109.296 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.79 148.18 24.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.418 -0.801 . . . . 0.0 109.241 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.21 -28.97 14.76 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 109.73 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.33 -29.4 6.04 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.698 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 53' ' ' VAL . 18.9 m -74.74 -37.36 42.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.83 -23.09 31.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.97 -34.21 38.83 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -77.66 -52.03 9.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.62 -0.675 . . . . 0.0 109.334 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.0 p -49.53 -42.33 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.5 mmt -55.6 -31.66 62.43 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.4 tp10 -63.21 -36.85 85.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.298 -0.876 . . . . 0.0 109.115 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -81.97 -32.05 30.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.296 -0.877 . . . . 0.0 109.675 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -94.14 -45.08 7.7 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.172 -0.955 . . . . 0.0 110.941 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' MET . 34.5 t0 -55.78 106.69 0.27 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.351 -1.468 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' B' ' 62' ' ' GLU . 32.5 tt0 -89.67 -47.47 7.92 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 4.9 p30 -76.06 -1.81 27.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.52 42.68 90.35 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 32.6 p30 -95.82 -3.57 45.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.709 -0.877 . . . . 0.0 109.905 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.63 9.95 66.21 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -129.35 169.97 14.23 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 30.8 m -127.67 87.55 2.64 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.525 -0.735 . . . . 0.0 109.886 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 68' ' ' CYS . 27.6 t0 -50.47 -175.18 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.737 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -75.16 -30.74 60.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.926 -1.109 . . . . 0.0 110.707 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -71.49 -38.18 71.2 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.937 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 7.0 tt0 -89.75 -38.15 14.03 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.075 -1.016 . . . . 0.0 108.86 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -52.94 -45.94 67.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.853 -1.154 . . . . 0.0 108.427 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -45.22 84.18 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.92 -18.6 1.4 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.496 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -74.95 -55.54 5.66 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.811 -1.18 . . . . 0.0 108.922 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.1 t -55.34 -33.03 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.082 -1.011 . . . . 0.0 108.723 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 82' ' ' THR . 37.7 p -65.27 -34.12 77.59 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.862 0.839 . . . . 0.0 109.245 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.54 -28.42 62.84 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.25 -35.02 9.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.429 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 19.8 m -69.23 -36.37 77.13 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.661 HG21 ' CD1' ' B' ' 70' ' ' PHE . 12.1 p -65.04 -41.05 95.54 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.277 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.35 69.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.447 -1.408 . . . . 0.0 108.639 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.07 -20.4 62.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.531 -0.73 . . . . 0.0 109.183 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CE1' ' OE1' ' A' ' 89' ' ' GLU . 62.1 t60 -105.17 -30.52 9.65 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 109.395 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -75.38 -48.57 22.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.114 -0.991 . . . . 0.0 109.582 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.77 -29.58 63.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -79.52 -35.79 39.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 109.541 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' OE1' ' CE1' ' A' ' 85' ' ' HIS . 72.1 tt0 -68.78 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.175 -0.953 . . . . 0.0 108.471 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.22 99.24 2.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.91 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 120.921 -1.112 . . . . 0.0 109.449 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.274 0.559 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p -87.15 78.26 8.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.0 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.24 -33.37 27.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.95 -20.15 61.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.255 -0.903 . . . . 0.0 110.041 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -73.89 -35.49 64.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.757 -1.215 . . . . 0.0 108.825 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.59 72.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -55.34 34.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.429 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 3.5 mtm -50.63 -39.85 51.45 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.12 -0.987 . . . . 0.0 109.517 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.71 -43.42 77.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.139 -0.976 . . . . 0.0 109.411 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.84 74.15 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.418 -0.801 . . . . 0.0 110.142 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.6 mp -80.12 -48.24 13.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.828 -1.17 . . . . 0.0 110.96 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.9 -29.09 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -79.23 -51.6 9.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 109.553 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.92 -25.92 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 108.927 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 10' ' ' LEU . 6.3 t80 -70.69 -48.53 54.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -35.91 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.095 -1.003 . . . . 0.0 110.649 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.66 -39.98 94.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.898 -1.126 . . . . 0.0 110.168 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.422 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 24.1 m-85 -81.17 -53.32 6.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.379 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -56.8 -29.43 62.7 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 5.61 83.71 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -71.26 -52.05 21.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.903 -1.351 . . . . 0.0 109.255 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.32 168.03 25.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.31 -0.869 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.94 -149.93 24.6 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.39 166.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 109.669 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -98.1 -14.59 20.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.486 -0.759 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -126.64 27.09 6.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.797 -1.189 . . . . 0.0 111.248 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -136.72 148.83 47.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 73' ' ' PHE . 5.8 mp -93.04 135.03 34.58 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.245 1.021 . . . . 0.0 110.204 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.57 151.97 20.97 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 38.2 mttm -43.8 -51.14 7.55 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.685 -1.259 . . . . 0.0 109.519 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -48.85 -13.46 0.05 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.462 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' LYS . 43.4 mt-10 -101.37 -40.39 7.12 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.564 -0.71 . . . . 0.0 109.477 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.8 -47.44 69.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -72.54 -35.8 68.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.564 -1.335 . . . . 0.0 108.609 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -76.31 -31.69 58.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.093 -1.005 . . . . 0.0 109.85 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 30.7 tp -69.71 -29.38 66.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.442 HG23 HD23 ' B' ' 44' ' ' LEU . 68.8 mt -77.32 -38.78 27.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' B' ' 41' ' ' SER . 1.4 t30 -85.45 -27.69 25.56 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.178 -0.951 . . . . 0.0 111.738 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -86.73 -46.8 9.68 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.584 -1.322 . . . . 0.0 113.343 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' B' ' 41' ' ' SER . 5.5 tp10 -110.86 -48.32 3.14 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.678 -1.263 . . . . 0.0 109.653 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -79.67 27.89 0.28 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.442 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.06 -16.62 40.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.861 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.47 -24.13 14.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.837 -1.164 . . . . 0.0 110.156 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.7 -51.07 3.53 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.307 -0.871 . . . . 0.0 108.705 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.443 ' HB2' HD12 ' B' ' 40' ' ' LEU . 47.3 tp -90.78 140.2 30.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.054 -1.029 . . . . 0.0 108.495 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -48.33 131.59 16.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.711 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -59.85 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.543 -0.723 . . . . 0.0 110.013 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.5 125.58 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -107.65 -17.87 13.98 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.568 -0.708 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.76 148.42 23.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.45 -28.97 14.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.3 -0.875 . . . . 0.0 109.726 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.38 -29.36 6.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.2 -0.938 . . . . 0.0 109.671 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.441 HG23 ' N ' ' B' ' 53' ' ' VAL . 19.4 m -74.81 -37.41 42.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.441 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.76 -23.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -79.93 -34.27 39.0 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.4 OUTLIER -77.56 -52.1 9.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.616 -0.677 . . . . 0.0 109.366 179.343 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -49.5 -42.35 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.519 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.5 mmt -55.57 -31.74 62.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 55' ' ' LYS . 10.4 tp10 -63.15 -36.97 85.37 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.217 -0.927 . . . . 0.0 109.086 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 m -81.99 -31.78 30.94 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 109.717 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.28 -45.27 7.57 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.198 -0.939 . . . . 0.0 110.893 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 34.6 t0 -55.62 106.54 0.26 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.402 -1.437 . . . . 0.0 109.998 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' A' ' 62' ' ' GLU . 30.6 tt0 -89.63 -47.3 8.04 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 4.8 p30 -76.04 -1.83 27.78 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.66 42.45 90.9 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 107.514 -2.235 . . . . 0.0 107.514 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 32.2 p30 -95.58 -3.56 46.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.607 -0.937 . . . . 0.0 109.926 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 9.75 66.17 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -129.0 170.06 13.92 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.477 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 27.5 m -127.71 87.54 2.64 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.517 -0.74 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 68' ' ' CYS . 27.7 t0 -50.49 -175.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.444 -0.785 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.661 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -75.21 -30.85 60.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.884 -1.135 . . . . 0.0 110.689 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -71.45 -38.12 71.33 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 109.949 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 7.1 tt0 -89.83 -38.03 14.05 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.105 -0.997 . . . . 0.0 108.971 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.446 ' CD1' HD22 ' B' ' 27' ' ' LEU . 3.0 t80 -52.98 -46.12 68.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.882 -1.136 . . . . 0.0 108.343 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -45.3 83.47 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.02 -18.5 1.42 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.492 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -74.9 -55.43 5.79 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 108.871 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' B' ' 81' ' ' THR . 75.2 t -55.48 -33.03 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.083 -1.011 . . . . 0.0 108.746 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' B' ' 82' ' ' THR . 38.2 p -65.28 -33.96 77.21 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.754 0.788 . . . . 0.0 109.125 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.71 -28.47 62.69 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.15 -35.19 9.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 18.4 m -69.23 -36.19 76.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.667 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.8 p -65.22 -40.91 94.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.526 -0.87 . . . . 0.0 111.204 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.4 69.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.531 -1.355 . . . . 0.0 108.646 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.09 -20.09 62.38 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.544 -0.722 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' B' ' 89' ' ' GLU . 62.7 t60 -105.27 -30.56 9.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.466 -0.771 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -75.33 -48.81 21.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.069 -1.019 . . . . 0.0 109.486 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -72.51 -29.76 63.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.775 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -79.39 -36.01 39.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.137 -0.977 . . . . 0.0 109.552 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' B' ' 85' ' ' HIS . 70.4 tt0 -68.52 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.15 -0.969 . . . . 0.0 108.517 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -72.34 99.26 2.38 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 108.902 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.522 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 p -86.32 84.42 7.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.21 -22.03 16.17 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -75.61 -26.72 58.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 110.211 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -76.97 -20.87 55.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.666 -1.271 . . . . 0.0 108.383 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 19.4 mmtt -75.14 -50.6 15.77 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.75 21.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.0 110.956 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtt -52.64 -36.5 56.76 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.559 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.88 -41.13 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.668 -1.27 . . . . 0.0 109.581 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.75 76.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.3 mp -77.82 -45.05 25.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.984 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mm -46.05 -38.52 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.971 -1.081 . . . . 0.0 109.901 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.07 -51.69 17.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.104 -0.997 . . . . 0.0 110.323 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.94 -26.4 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.895 -1.128 . . . . 0.0 108.781 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 31.6 t80 -72.5 -48.79 37.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 109.813 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.494 ' CE1' ' HZ2' ' A' ' 24' ' ' LYS . 3.3 t-160 -78.45 -30.58 47.56 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.012 -1.055 . . . . 0.0 110.71 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -67.55 -40.54 84.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.977 -1.077 . . . . 0.0 110.449 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.11 -52.92 7.54 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 108.975 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' ASP . 21.7 m -56.07 -28.26 56.9 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 1.99 84.45 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -66.65 -50.12 63.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.236 . . . . 0.0 108.617 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -160.24 154.03 22.74 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.63 -136.14 41.69 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 12.7 m-20 -40.3 157.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.973 -0.722 . . . . 0.0 110.174 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HZ2' ' CE1' ' A' ' 15' ' ' HIS . 19.7 tttm -100.07 -25.07 14.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.526 -0.734 . . . . 0.0 110.333 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -133.2 33.1 3.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.196 -0.94 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.23 146.97 49.15 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 73' ' ' PHE . 6.9 mp -100.14 136.17 40.45 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 123.03 1.395 . . . . 0.0 110.999 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 33.3 mttm -106.48 157.42 17.67 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 114.135 -1.393 . . . . 0.0 107.961 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.8 mtmm -43.38 -50.92 6.71 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.324 -0.86 . . . . 0.0 109.49 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.28 -16.08 0.16 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 109.423 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' LYS . 32.1 mt-10 -99.89 -36.71 9.32 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.275 -0.891 . . . . 0.0 109.055 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -51.14 31.41 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.549 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.26 -35.68 73.93 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.036 -1.04 . . . . 0.0 109.66 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -76.75 -31.29 57.0 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.006 -1.058 . . . . 0.0 109.772 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.6 tp -70.45 -39.01 74.56 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.73 -44.44 99.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.302 0.572 . . . . 0.0 109.665 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -81.68 -23.01 37.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.355 -0.841 . . . . 0.0 111.314 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -85.67 -46.13 11.03 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.587 -1.321 . . . . 0.0 111.69 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 41' ' ' SER . 2.5 mp0 -104.66 -61.18 1.49 Allowed 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.788 -1.195 . . . . 0.0 109.273 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.693 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -74.77 35.76 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.975 -1.078 . . . . 0.0 109.26 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -77.67 -20.1 54.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 108.579 178.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -99.34 -17.75 17.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.295 -0.878 . . . . 0.0 109.193 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.04 -56.5 2.19 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 80' ' ' VAL . 72.9 mt -89.86 129.91 36.17 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.89 140.03 31.9 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.51 106.0 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.907 -1.12 . . . . 0.0 109.782 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 pt -70.69 135.47 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.908 -1.12 . . . . 0.0 109.505 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 48' ' ' LYS . 8.8 mtmp? -103.86 -17.65 14.95 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.36 138.74 52.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.52 -14.71 59.6 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.145 -0.972 . . . . 0.0 109.439 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -46.86 -34.95 5.83 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.969 -1.082 . . . . 0.0 110.413 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.12 -37.98 26.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.519 -1.363 . . . . 0.0 107.72 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -23.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -77.5 -32.26 54.07 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -78.1 -55.5 5.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -49.07 -41.95 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.586 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.3 mmm -60.81 -29.05 69.23 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.0 tp10 -67.65 -38.12 83.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 108.449 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.3 m -78.73 -27.91 44.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.49 -0.756 . . . . 0.0 109.416 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.17 -44.35 6.63 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.265 -0.897 . . . . 0.0 111.328 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 57' ' ' MET . 37.1 t0 -56.06 100.93 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.113 -1.617 . . . . 0.0 110.032 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.75 -41.72 11.1 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 1.1 p30 -77.19 -4.75 46.27 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.07 44.35 97.38 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 67' ' ' GLU . 13.0 p30 -99.94 -5.83 27.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.473 -1.016 . . . . 0.0 109.965 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.23 0.86 17.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 65' ' ' ASP . 49.0 mt-10 -120.89 172.72 7.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 16.0 m -127.42 90.43 3.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.035 -1.041 . . . . 0.0 110.894 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' CYS . 20.4 m-20 -52.77 -174.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.094 -1.004 . . . . 0.0 108.568 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.716 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -73.9 -31.24 63.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.335 -1.478 . . . . 0.0 111.253 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -76.24 -30.31 57.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.075 -1.016 . . . . 0.0 110.734 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.71 -40.51 12.48 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.671 -1.268 . . . . 0.0 109.004 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.0 t80 -58.37 -38.78 77.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.126 0.965 . . . . 0.0 108.581 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 14.7 ttt -77.18 -16.37 59.13 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.87 -22.31 46.21 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.56 -49.8 30.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.74 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 81' ' ' THR . 49.9 t -57.26 -33.31 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.527 -1.358 . . . . 0.0 107.806 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -63.59 -38.0 89.45 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.209 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttt -68.04 -26.31 65.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 44' ' ' LEU . 44.8 t -85.02 -35.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' VAL . 22.2 m -71.63 -36.7 70.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.709 HG21 ' CD1' ' B' ' 70' ' ' PHE . 32.6 p -66.1 -41.02 91.17 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.301 -0.874 . . . . 0.0 110.877 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.681 -1.262 . . . . 0.0 108.006 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.6 m -76.58 -22.13 54.68 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.387 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 45.8 t60 -87.37 -36.45 17.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.92 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.3 -25.19 51.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.0 109.201 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -64.34 -56.12 16.58 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.25 -0.906 . . . . 0.0 109.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -68.69 -35.07 76.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.933 -1.104 . . . . 0.0 109.507 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 85' ' ' HIS . 90.6 mt-10 -87.99 5.48 40.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.331 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.406 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 16.8 t-80 -53.65 100.16 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.229 -0.92 . . . . 0.0 109.393 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.564 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 40.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.0 p -86.05 84.27 7.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.027 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.1 -22.28 15.89 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -75.23 -26.53 58.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.621 -0.674 . . . . 0.0 110.359 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -76.65 -21.0 56.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.855 -1.153 . . . . 0.0 108.409 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -75.34 -50.6 15.49 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.44 34.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 111.148 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.13 -36.53 60.9 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 110.454 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -76.54 -42.09 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.899 -1.126 . . . . 0.0 109.594 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.74 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.612 -0.68 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -77.68 -45.27 25.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.825 -1.172 . . . . 0.0 109.896 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -46.08 -37.94 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.935 -1.103 . . . . 0.0 109.868 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.5 -51.93 15.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.931 -1.105 . . . . 0.0 110.315 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.82 -26.66 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 108.691 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 10' ' ' LEU . 29.9 t80 -71.67 -49.53 38.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.342 -0.849 . . . . 0.0 109.725 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.436 ' CE1' ' HZ2' ' B' ' 24' ' ' LYS . 3.3 t-160 -78.19 -30.67 49.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.143 -0.973 . . . . 0.0 110.821 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -67.31 -40.07 85.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.933 -1.104 . . . . 0.0 110.133 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -79.6 -52.92 7.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.48 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.1 m -56.04 -28.38 57.19 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.01 1.76 85.12 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.21 -50.05 62.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.05 -1.264 . . . . 0.0 108.681 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -159.46 154.83 25.49 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.09 -135.65 45.91 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 13.5 m-20 -40.33 158.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.872 -0.781 . . . . 0.0 110.32 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' B' ' 15' ' ' HIS . 18.2 tttm -100.79 -23.55 14.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.664 -0.647 . . . . 0.0 110.145 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -134.63 32.65 3.29 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.842 -1.161 . . . . 0.0 110.646 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 146.93 49.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 73' ' ' PHE . 6.7 mp -100.53 136.58 40.19 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 122.815 1.293 . . . . 0.0 110.789 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.6 mttm -107.07 158.2 17.24 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.974 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 31' ' ' GLU . 29.6 mtmm -43.93 -50.48 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -48.75 -16.61 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.54 -0.725 . . . . 0.0 109.414 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 30.1 mt-10 -99.84 -37.49 9.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.256 -0.902 . . . . 0.0 108.898 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.79 -51.16 36.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.185 -0.947 . . . . 0.0 109.827 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.01 -35.95 74.75 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.025 -1.047 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.06 -31.05 55.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.085 -1.01 . . . . 0.0 110.047 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 20.4 tp -70.05 -39.4 75.73 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.62 -44.9 99.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.015 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -81.21 -23.03 38.4 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 111.358 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -85.34 -46.0 11.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.619 -1.3 . . . . 0.0 111.548 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 41' ' ' SER . 2.9 mp0 -105.44 -60.64 1.59 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.802 -1.186 . . . . 0.0 109.402 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.668 HD22 ' H ' ' B' ' 40' ' ' LEU . 1.9 mm? -74.83 35.44 0.1 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.155 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -77.78 -19.88 54.28 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.955 . . . . 0.0 108.704 178.576 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -98.69 -19.53 17.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.223 -0.923 . . . . 0.0 109.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.02 -55.59 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.451 HD21 HG13 ' B' ' 80' ' ' VAL . 73.7 mt -90.8 129.8 36.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.223 -0.923 . . . . 0.0 108.891 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.04 139.4 28.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -66.48 106.46 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.924 -1.11 . . . . 0.0 109.638 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.407 HD13 HG21 ' B' ' 47' ' ' ILE . 6.7 pt -71.39 135.33 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.837 -1.164 . . . . 0.0 109.498 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 9.0 mtmp? -103.59 -17.47 15.15 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -118.37 138.12 52.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -76.88 -14.87 59.84 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 109.619 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -47.1 -34.54 6.06 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.028 -1.045 . . . . 0.0 110.24 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 m -77.43 -37.74 25.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.562 -1.336 . . . . 0.0 107.59 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -23.57 32.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 178.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.8 -33.02 52.72 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -77.57 -55.45 5.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.7 p -48.93 -42.43 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.581 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.3 mmm -60.14 -29.48 68.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 55' ' ' LYS . 7.0 tp10 -67.31 -38.11 84.44 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.133 -0.979 . . . . 0.0 108.503 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.6 m -78.95 -27.7 43.6 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.34 -44.18 6.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.244 -0.91 . . . . 0.0 111.193 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.6 t0 -55.98 100.44 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 119.976 -1.703 . . . . 0.0 110.016 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.8 -41.71 11.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.6 -4.03 40.82 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.26 44.06 96.77 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -100.02 -5.48 28.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.391 -1.064 . . . . 0.0 110.016 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.22 0.91 17.86 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -121.23 173.72 7.14 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.581 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 21.7 m -128.01 90.25 3.06 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.219 -0.925 . . . . 0.0 110.898 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 68' ' ' CYS . 19.3 m-20 -52.73 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 0.0 108.51 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.4 p90 -73.2 -31.65 64.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.562 -1.336 . . . . 0.0 111.292 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -75.74 -30.84 59.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.909 -1.119 . . . . 0.0 110.676 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -89.92 -40.1 12.6 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.703 -1.248 . . . . 0.0 108.965 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.1 t80 -58.13 -38.93 77.46 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 12.8 ttt -77.16 -16.41 59.14 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.6 46.3 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.31 -49.62 33.1 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.523 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 81' ' ' THR . 47.8 t -57.68 -32.75 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.641 -1.287 . . . . 0.0 107.891 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -63.85 -38.24 90.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.8 ttt -67.71 -26.73 66.31 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.451 HG13 HD21 ' B' ' 44' ' ' LEU . 53.7 t -84.99 -35.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 77' ' ' VAL . 18.1 m -71.81 -36.45 70.25 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.716 HG21 ' CD1' ' A' ' 70' ' ' PHE . 32.1 p -66.11 -40.34 90.66 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.133 -0.979 . . . . 0.0 110.887 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.51 69.84 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.711 -1.243 . . . . 0.0 107.814 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 66.5 m -77.12 -21.47 54.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.233 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.488 ' CE1' ' OE2' ' B' ' 89' ' ' GLU . 44.2 t60 -87.46 -36.83 17.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.184 -0.948 . . . . 0.0 109.163 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.8 -25.11 48.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.392 -0.818 . . . . 0.0 109.386 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.07 -55.64 20.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.61 -34.04 73.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' CE1' ' B' ' 85' ' ' HIS . 92.7 mt-10 -87.89 3.33 48.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 109.474 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -52.6 100.11 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.185 -0.947 . . . . 0.0 109.554 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.509 179.554 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 p -81.62 77.7 8.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.168 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -50.27 -34.29 22.82 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.638 -0.664 . . . . 0.0 109.5 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.652 HD12 HD21 ' B' ' 40' ' ' LEU . 62.5 mt -72.81 -16.57 61.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.931 -1.106 . . . . 0.0 110.178 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.57 -32.06 60.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.606 -1.308 . . . . 0.0 107.695 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.58 -44.73 77.49 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.38 79.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 109.799 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -54.97 -41.37 71.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.35 -0.843 . . . . 0.0 109.845 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.91 -43.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.634 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.76 -32.1 73.17 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -79.94 -49.54 11.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HD1' ' B' ' 85' ' ' HIS . 51.7 mt -46.79 -30.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.919 -1.113 . . . . 0.0 109.426 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -75.24 -51.5 13.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.69 -26.71 18.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.36 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 8.2 t80 -72.37 -46.76 53.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.95 . . . . 0.0 109.577 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -75.87 -32.82 59.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.941 . . . . 0.0 110.525 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -67.13 -38.39 85.47 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.964 -1.085 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 34.4 m-85 -90.16 -59.67 2.13 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.003 -1.061 . . . . 0.0 109.325 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m -51.62 -25.16 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.157 -0.964 . . . . 0.0 108.628 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.72 -0.39 55.3 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 34' ' ' GLU . 21.3 ttt85 -58.42 -40.57 82.84 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.668 -1.489 . . . . 0.0 108.908 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.02 165.08 37.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.481 -0.762 . . . . 0.0 109.985 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -161.9 23.35 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -46.86 -81.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.474 -1.016 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 3.5 tmtm? -172.97 -8.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 109.063 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 16.8 m-70 -155.52 46.94 0.5 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.079 -1.013 . . . . 0.0 110.181 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -127.1 144.98 50.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.033 -1.042 . . . . 0.0 108.429 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -95.73 124.97 39.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.191 -0.943 . . . . 0.0 110.704 -178.432 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -111.38 156.33 21.77 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.4 ttpp -46.59 -47.64 19.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.805 -1.184 . . . . 0.0 110.402 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -46.46 -12.46 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 0.0 110.758 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.3 mt-10 -101.14 -36.91 8.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.15 -0.969 . . . . 0.0 108.388 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD12 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -60.0 -58.39 8.76 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 109.082 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.39 -34.44 77.97 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.238 -0.913 . . . . 0.0 109.649 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 20' ' ' ARG . 65.7 tt0 -78.36 -34.75 48.2 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.101 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.0 tp -71.21 -32.81 69.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.202 -0.936 . . . . 0.0 108.996 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -75.05 -36.23 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.655 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -82.09 -23.35 35.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 110.864 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.7 -44.14 7.24 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.061 -1.024 . . . . 0.0 111.86 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -103.52 -63.98 1.13 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.002 -1.061 . . . . 0.0 110.416 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 HD12 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -76.8 37.04 0.17 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 -179.444 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -21.9 20.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.924 -1.11 . . . . 0.0 109.507 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -91.31 -22.51 20.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -49.73 3.68 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' LEU . 6.3 mp -102.66 130.03 49.45 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.85 141.78 16.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.873 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.82 104.5 2.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.286 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.9 pt -57.57 138.82 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.969 -1.082 . . . . 0.0 109.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -104.84 -17.85 14.43 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.43 139.01 52.07 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' ASP . 2.6 pt20 -76.01 -18.89 59.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -42.14 -40.46 2.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.111 -0.993 . . . . 0.0 111.287 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.4 -36.91 37.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.672 -1.268 . . . . 0.0 108.03 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.728 ' CG2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.63 -23.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 178.561 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 m-20 -76.08 -33.07 59.54 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.54 17.85 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -40.05 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.826 -1.172 . . . . 0.0 108.357 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.6 mtt -64.54 -36.08 83.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.449 -0.782 . . . . 0.0 109.234 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -62.99 -29.3 70.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 108.989 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.8 m -87.79 -31.43 19.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.522 -0.736 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.1 mm? -95.18 -44.53 7.59 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.134 -0.979 . . . . 0.0 110.765 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' MET . 1.4 m-20 -55.37 111.45 0.88 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.491 -1.38 . . . . 0.0 110.262 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.07 -42.52 16.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 11.9 p30 -83.18 -1.91 54.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.86 43.54 94.71 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 107.604 -2.198 . . . . 0.0 107.604 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -95.37 -4.66 44.91 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.633 -0.922 . . . . 0.0 109.933 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 71.73 5.83 61.69 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.923 -2.071 . . . . 0.0 107.923 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -129.43 163.27 26.19 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' ASP . 3.3 m -127.24 98.63 5.35 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.325 -0.859 . . . . 0.0 111.163 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 18.8 t0 -53.91 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -77.16 -36.88 54.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.17 -1.582 . . . . 0.0 110.903 -179.01 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' OE1' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.1 -28.84 62.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.838 -1.164 . . . . 0.0 109.601 -178.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.1 tt0 -89.9 -42.88 10.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -51.89 -42.77 62.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 108.829 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.43 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -43.77 98.19 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.71 -19.32 2.32 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.553 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -74.92 -55.37 5.85 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.311 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.2 t -55.53 -32.13 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.944 -1.097 . . . . 0.0 108.104 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 82' ' ' THR . 12.9 t -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.71 -32.07 57.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.783 -0.573 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -33.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.0 m -67.87 -38.82 83.58 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 78' ' ' SER . 7.4 p -61.34 -40.04 92.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.922 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.22 91.83 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.726 -1.234 . . . . 0.0 108.27 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.9 t -63.13 -24.77 68.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.646 -0.822 . . . . 0.0 108.957 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.555 ' HD1' HG23 ' B' ' 11' ' ' ILE . 65.4 t60 -96.35 -32.9 12.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.382 -0.824 . . . . 0.0 109.529 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -78.88 -43.76 24.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.62 -40.3 78.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.081 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.44 -41.57 65.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.875 . . . . 0.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -82.93 16.84 2.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.491 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -69.59 100.99 1.53 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.935 . . . . 0.0 109.366 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.486 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 p -81.63 77.81 8.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -0.934 . . . . 0.0 109.208 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.3 -34.26 22.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 40' ' ' LEU . 63.9 mt -72.83 -16.59 61.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.112 . . . . 0.0 110.169 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.54 -32.1 60.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.56 -1.337 . . . . 0.0 107.707 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.57 -44.51 78.03 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.18 79.16 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -55.06 -41.43 71.47 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 109.711 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.77 -43.6 40.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 109.645 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.93 73.11 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.302 -0.874 . . . . 0.0 109.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.421 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -79.98 -49.51 11.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.003 -1.06 . . . . 0.0 110.562 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.555 HG23 ' HD1' ' A' ' 85' ' ' HIS . 52.9 mt -46.81 -30.76 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.837 -1.164 . . . . 0.0 109.45 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -75.13 -51.59 13.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 0.0 109.443 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.62 -26.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.163 -0.961 . . . . 0.0 109.318 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -72.18 -46.89 54.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 109.571 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -75.97 -32.73 59.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.136 -0.978 . . . . 0.0 110.526 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -67.21 -38.41 85.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.003 -1.061 . . . . 0.0 109.793 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 34.6 m-85 -90.13 -59.68 2.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.346 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -51.42 -25.33 6.09 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.213 -0.929 . . . . 0.0 108.659 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.33 55.37 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' ' OE2' ' B' ' 34' ' ' GLU . 21.3 ttt85 -58.45 -40.54 82.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.727 -1.455 . . . . 0.0 108.96 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.0 165.1 37.1 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.486 -0.759 . . . . 0.0 110.031 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.27 -161.93 23.47 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -46.82 -81.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.394 -1.062 . . . . 0.0 109.292 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.469 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 3.6 tmtm? -172.91 -8.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.035 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 17.4 m-70 -155.59 46.93 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 110.227 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -127.16 145.0 50.91 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.098 -1.002 . . . . 0.0 108.378 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.415 HD22 ' OE2' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -95.79 125.02 40.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.276 -0.89 . . . . 0.0 110.738 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -111.36 156.2 21.94 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.4 ttpp -46.56 -47.61 19.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 110.307 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.0 m -46.36 -12.56 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.158 -0.964 . . . . 0.0 110.797 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' LYS . 6.4 mt-10 -101.22 -36.74 8.81 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.714 HD12 ' CG2' ' B' ' 53' ' ' VAL . 0.2 OUTLIER -60.13 -58.4 8.69 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.349 -0.845 . . . . 0.0 109.031 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.31 -34.36 77.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.001 . . . . 0.0 109.779 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' B' ' 20' ' ' ARG . 65.9 tt0 -78.52 -34.65 47.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.966 . . . . 0.0 110.049 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' B' ' 31' ' ' GLU . 54.6 tp -71.29 -32.72 68.99 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 108.967 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -75.02 -36.35 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -82.18 -23.26 35.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.274 -0.891 . . . . 0.0 110.755 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.68 -44.22 7.21 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.088 -1.008 . . . . 0.0 111.779 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -103.52 -63.92 1.14 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.903 -1.123 . . . . 0.0 110.429 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -76.88 37.16 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.53 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.98 -21.68 20.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.8 -1.188 . . . . 0.0 109.537 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -91.37 -22.62 20.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 108.95 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.09 -49.66 3.7 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.2 mp -102.79 130.08 49.66 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.76 141.54 16.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.118 -0.989 . . . . 0.0 108.96 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.61 104.46 2.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 47' ' ' ILE . 30.4 pt -57.59 138.89 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.941 -1.099 . . . . 0.0 109.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -104.96 -17.71 14.43 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.54 139.1 51.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' B' ' 53' ' ' VAL . 2.6 pt20 -76.21 -18.82 58.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.883 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 50' ' ' GLN . 68.2 tt0 -42.13 -40.38 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.14 -0.975 . . . . 0.0 111.221 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 m -75.52 -36.98 36.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 120.674 -1.266 . . . . 0.0 108.004 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.714 ' CG2' HD12 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -68.5 -23.71 28.44 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' B' ' 50' ' ' GLN . 6.5 m-20 -76.21 -33.03 59.26 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.48 17.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -40.15 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.708 -1.245 . . . . 0.0 108.385 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.423 ' O ' ' N ' ' B' ' 61' ' ' ASP . 14.8 mtt -64.4 -36.31 83.73 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.458 -0.776 . . . . 0.0 109.218 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.86 -29.37 70.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -0.905 . . . . 0.0 108.925 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 57.6 m -87.82 -31.31 19.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.513 -0.742 . . . . 0.0 109.706 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.2 -44.66 7.52 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.057 -1.027 . . . . 0.0 110.732 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 1.4 m-20 -55.43 111.53 0.9 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.496 -1.377 . . . . 0.0 110.216 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -84.02 -42.58 16.03 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 11.8 p30 -83.11 -1.93 54.11 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.84 43.49 94.7 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 107.578 -2.209 . . . . 0.0 107.578 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 39.5 p-10 -95.3 -4.85 44.83 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.68 -0.894 . . . . 0.0 109.924 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.412 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 71.9 5.72 62.06 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.41 163.32 26.08 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 3.3 m -127.26 98.65 5.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.366 -0.834 . . . . 0.0 111.254 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CE1' ' B' ' 70' ' ' PHE . 18.9 t0 -53.8 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -77.2 -36.81 54.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.256 -1.528 . . . . 0.0 110.941 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -73.16 -28.94 62.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.901 -1.124 . . . . 0.0 109.572 -178.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 20.1 tt0 -89.66 -43.02 11.02 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.88 -42.72 62.9 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.177 -0.952 . . . . 0.0 108.868 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.421 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.85 -43.85 98.01 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.73 -19.34 2.36 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.487 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -74.83 -55.37 5.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.94 -1.1 . . . . 0.0 108.333 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.57 -32.18 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.772 ' O ' HG23 ' B' ' 82' ' ' THR . 12.3 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.75 -32.07 57.52 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.763 -0.586 . . . . 0.0 109.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -33.39 7.13 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -67.95 -38.93 83.42 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.772 HG23 ' O ' ' B' ' 78' ' ' SER . 7.5 p -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.919 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.13 91.73 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.817 -1.177 . . . . 0.0 108.366 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 t -63.21 -24.82 68.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.655 -0.818 . . . . 0.0 108.944 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.552 ' HD1' HG23 ' A' ' 11' ' ' ILE . 65.3 t60 -96.27 -32.94 12.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 82' ' ' THR . 39.3 tt0 -78.96 -43.68 24.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.64 -40.33 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.371 -0.831 . . . . 0.0 109.098 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.45 -41.52 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -83.07 16.93 2.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.0 109.498 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -69.6 100.97 1.53 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.093 -1.004 . . . . 0.0 109.404 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.579 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p -78.39 81.84 4.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.241 -0.912 . . . . 0.0 109.07 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 17.2 mp0 -53.1 -33.35 51.83 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.616 -0.677 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.505 HD23 HG21 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -71.96 -21.87 61.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -75.85 -33.86 60.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.929 -1.107 . . . . 0.0 109.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -70.02 -45.3 67.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.32 29.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 110.105 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt -50.33 -39.96 47.54 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 109.655 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -72.95 -42.91 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.332 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.06 76.16 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.917 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 9.8 mp -80.21 -47.96 13.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.928 -1.107 . . . . 0.0 110.778 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.4 mt -44.79 -28.56 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.873 -1.142 . . . . 0.0 109.616 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.81 -51.25 9.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.961 . . . . 0.0 109.29 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG21 HD23 ' B' ' 3' ' ' LEU . 20.8 t -74.19 -26.21 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.69 -45.4 62.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.512 -0.743 . . . . 0.0 109.835 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.03 -35.02 50.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.891 -1.131 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.89 -40.45 83.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.103 -0.998 . . . . 0.0 110.616 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -87.63 -57.18 3.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.879 -1.138 . . . . 0.0 109.241 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 4.5 t -53.36 -21.55 5.97 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.779 -1.2 . . . . 0.0 107.817 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.09 1.35 54.79 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.87 -42.48 89.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.8 -1.412 . . . . 0.0 108.338 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -150.86 170.23 19.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 -163.73 26.83 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -51.06 -69.54 0.11 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -1.224 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' ' H ' ' A' ' 25' ' ' HIS . 29.6 tttt -171.92 -8.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 0.0 109.308 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' H ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.0 109.697 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' N ' ' OG ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -135.81 141.41 44.72 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.238 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 tt -92.49 119.47 32.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.379 -1.451 . . . . 0.0 110.311 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.2 mttm -108.71 151.39 26.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpt -43.39 -50.7 6.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.129 -0.982 . . . . 0.0 109.937 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.36 -12.58 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 109.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 58.5 mt-10 -99.07 -38.99 8.73 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -61.52 2.2 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.677 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.54 -35.44 74.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.752 -1.217 . . . . 0.0 110.09 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.62 -33.42 58.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.961 -1.087 . . . . 0.0 109.439 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' GLU . 45.4 tp -73.82 -32.26 63.63 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.639 HG21 HD12 ' A' ' 47' ' ' ILE . 1.2 mm -65.95 -42.24 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.422 -0.798 . . . . 0.0 109.344 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.79 -22.19 40.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.643 -0.66 . . . . 0.0 112.125 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -94.58 -23.29 17.71 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.502 -1.374 . . . . 0.0 112.787 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' OE2' HG13 ' A' ' 13' ' ' VAL . 50.9 mt-10 -130.57 -50.32 1.07 Allowed 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.839 -1.163 . . . . 0.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 28.13 0.55 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -81.63 -17.14 49.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.823 -1.173 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -98.12 -16.47 19.53 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.993 -1.067 . . . . 0.0 109.562 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.18 -33.53 6.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.586 -0.696 . . . . 0.0 109.422 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 132.72 49.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' ILE . 25.3 mp0 -49.78 135.58 19.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.81 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.739 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 36' ' ' ILE . 19.0 mt -69.55 123.74 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -120.14 -15.11 8.76 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -105.85 139.4 40.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' HG2' ' H ' ' A' ' 50' ' ' GLN . 7.5 pt20 -79.71 -23.42 42.38 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.14 -38.5 5.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 111.03 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 53' ' ' VAL . 20.3 m -74.99 -38.45 43.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -63.48 -24.88 37.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -77.98 -35.77 49.77 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -50.38 13.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.464 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.4 p -53.18 -41.04 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.601 -1.312 . . . . 0.0 108.007 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 13.3 mmm -64.85 -33.84 76.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.682 -0.637 . . . . 0.0 109.556 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -64.32 -36.55 84.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.092 -1.005 . . . . 0.0 109.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -80.45 -31.18 37.49 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.356 -0.84 . . . . 0.0 109.539 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.2 mm? -91.31 -43.59 9.7 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.216 -0.928 . . . . 0.0 111.045 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.04 111.66 0.89 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.364 -1.46 . . . . 0.0 110.019 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 62' ' ' GLU . 2.3 tm-20 -86.82 -43.09 12.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 2.9 p30 -82.97 -1.64 53.01 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.74 42.83 91.75 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 107.441 -2.264 . . . . 0.0 107.441 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -92.97 -5.17 51.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.886 . . . . 0.0 109.809 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.42 0.78 48.83 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -127.56 163.19 24.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 91.3 m -127.4 101.5 6.48 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.351 -0.843 . . . . 0.0 111.865 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 8.1 t70 -55.84 -169.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -78.72 -32.81 46.98 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.048 -1.033 . . . . 0.0 110.928 -179.205 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -69.33 -38.65 78.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.13 -0.981 . . . . 0.0 110.238 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.4 tt0 -88.36 -39.1 14.59 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.198 -0.939 . . . . 0.0 109.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.2 t80 -53.75 -42.52 68.29 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.932 -1.105 . . . . 0.0 109.143 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -63.37 -41.9 98.84 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.81 -24.71 3.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.145 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.37 -48.45 41.6 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 118.888 -1.125 . . . . 0.0 108.29 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -55.89 -35.92 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 82' ' ' THR . 7.1 t -65.39 -33.86 76.96 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.936 0.874 . . . . 0.0 108.991 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.48 -27.97 61.68 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.04 -35.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -66.97 -38.41 86.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 78' ' ' SER . 16.2 p -62.5 -43.53 98.59 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.178 -0.951 . . . . 0.0 110.173 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.92 -35.35 58.25 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.311 -1.493 . . . . 0.0 108.294 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.68 -13.89 62.25 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.461 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 82' ' ' THR . 9.1 t-160 -98.27 -37.55 9.62 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.43 -0.794 . . . . 0.0 109.533 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 90' ' ' HIS . 23.3 mt-10 -75.0 -45.24 43.29 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.919 -1.113 . . . . 0.0 108.823 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.41 -51.4 35.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.575 -0.703 . . . . 0.0 109.512 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -64.78 -25.32 67.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.705 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' CD ' ' NE2' ' A' ' 85' ' ' HIS . 89.4 mt-10 -98.38 -5.16 33.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.246 -0.909 . . . . 0.0 109.654 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.3 t60 -63.4 100.35 0.25 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.698 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.505 -179.846 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' B' ' 0' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p -78.4 82.1 4.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.095 -1.003 . . . . 0.0 109.111 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.605 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 17.7 mp0 -53.05 -33.53 52.34 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.498 0.666 . . . . 0.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -71.9 -21.98 61.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 110.054 -179.566 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -75.8 -33.81 60.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.944 -1.098 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -70.09 -45.24 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 0.0 109.257 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.37 29.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.8 mtt -50.47 -39.81 49.1 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.316 -0.865 . . . . 0.0 109.625 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 37.9 t -73.07 -42.93 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.071 -1.018 . . . . 0.0 109.409 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.08 75.96 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.54 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 9.8 mp -80.25 -48.01 13.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.806 -1.184 . . . . 0.0 110.693 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.5 mt -44.73 -28.43 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.771 -1.206 . . . . 0.0 109.682 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.08 -51.15 9.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.505 HG21 HD23 ' A' ' 3' ' ' LEU . 19.2 t -74.15 -26.21 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 109.115 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.66 -45.33 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.07 -35.32 49.66 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.989 -1.069 . . . . 0.0 110.341 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.58 -40.65 84.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.586 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -87.44 -57.32 2.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.756 -1.215 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 4.3 t -53.35 -21.37 5.65 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.78 -1.2 . . . . 0.0 107.836 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.19 1.29 54.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.92 -42.43 89.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.742 -1.446 . . . . 0.0 108.368 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -150.64 170.45 19.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.603 -0.685 . . . . 0.0 109.205 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.04 -163.82 26.99 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -51.09 -69.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 109.279 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' B' ' 25' ' ' HIS . 29.2 tttt -171.93 -8.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.264 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.409 ' H ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.14 0.19 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.241 -0.912 . . . . 0.0 109.63 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.421 ' N ' ' OG ' ' B' ' 18' ' ' SER . 0.5 OUTLIER -135.79 141.36 44.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' CG ' ' B' ' 73' ' ' PHE . 6.7 tt -92.61 119.44 32.05 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.395 -1.441 . . . . 0.0 110.276 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.431 ' N ' HD23 ' B' ' 27' ' ' LEU . 63.6 mttm -108.66 151.32 26.32 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' B' ' 31' ' ' GLU . 24.0 ttpt -43.56 -50.43 7.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.189 -0.944 . . . . 0.0 109.908 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.55 -12.58 0.1 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.196 -0.94 . . . . 0.0 109.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 58.9 mt-10 -99.04 -38.86 8.79 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.41 -61.3 2.31 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.707 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -59.74 -35.3 74.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.722 -1.236 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.75 -33.3 58.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.87 -1.144 . . . . 0.0 109.44 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 45.6 tp -73.85 -32.5 63.69 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.627 HG21 HD12 ' B' ' 47' ' ' ILE . 1.2 mm -65.71 -42.21 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.451 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.8 -22.28 40.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.608 -0.682 . . . . 0.0 112.152 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -94.57 -23.34 17.7 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.471 -1.393 . . . . 0.0 112.828 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.434 ' OE2' HG13 ' B' ' 13' ' ' VAL . 50.1 mt-10 -130.49 -50.31 1.07 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.905 -1.122 . . . . 0.0 110.039 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 28.1 0.56 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -81.58 -17.24 49.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.848 -1.158 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -98.11 -16.45 19.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.94 -1.1 . . . . 0.0 109.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.22 -33.43 6.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 0.0 109.47 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.98 132.79 49.89 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' B' ' 47' ' ' ILE . 25.0 mp0 -49.82 135.75 19.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.078 -1.013 . . . . 0.0 109.218 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.92 90.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.42 -0.8 . . . . 0.0 109.743 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.627 HD12 HG21 ' B' ' 36' ' ' ILE . 18.8 mt -69.64 123.71 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.124 -0.985 . . . . 0.0 108.497 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -120.09 -15.13 8.78 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.93 139.13 40.95 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' B' ' 50' ' ' GLN . 7.5 pt20 -79.39 -23.62 43.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.0 -38.62 4.9 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 111.039 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 53' ' ' VAL . 20.5 m -74.95 -38.37 43.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.605 -1.309 . . . . 0.0 107.508 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.461 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -63.62 -24.85 36.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.86 -35.88 50.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.46 13.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.373 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -53.19 -41.09 41.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.724 -1.235 . . . . 0.0 107.975 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' B' ' 53' ' ' VAL . 13.9 mmm -64.94 -33.76 76.79 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.596 -0.69 . . . . 0.0 109.643 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.35 -36.5 84.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.168 -0.957 . . . . 0.0 109.099 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.1 m -80.52 -30.98 37.18 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.606 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.35 -43.69 9.61 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.144 -0.973 . . . . 0.0 110.894 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.0 111.6 0.87 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.407 -1.433 . . . . 0.0 110.08 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' B' ' 62' ' ' GLU . 2.2 tm-20 -86.92 -42.98 12.75 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.03 -1.53 52.91 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.79 42.59 91.78 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 107.435 -2.266 . . . . 0.0 107.435 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -92.93 -5.24 51.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.661 -0.906 . . . . 0.0 109.894 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.8 0.43 49.92 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -127.63 163.22 24.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 88.8 m -127.46 101.43 6.43 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.851 . . . . 0.0 111.829 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 8.1 t70 -55.85 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -78.5 -32.93 48.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.981 -1.074 . . . . 0.0 111.005 -179.288 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.32 -38.55 78.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.287 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 15.5 tt0 -88.43 -39.18 14.45 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.189 -0.944 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.567 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.3 t80 -53.7 -42.68 68.28 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.918 -1.114 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -63.19 -41.94 99.27 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 178.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.74 -24.93 3.78 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.15 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.37 -48.33 42.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.885 -1.134 . . . . 0.0 108.286 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.87 -35.73 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -65.63 -33.72 76.56 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.873 0.844 . . . . 0.0 109.011 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.56 -27.85 61.54 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -87.01 -35.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.5 m -66.97 -38.4 86.0 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' SER . 16.2 p -62.59 -43.4 98.89 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.174 -0.954 . . . . 0.0 110.174 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.59 57.03 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.356 -1.465 . . . . 0.0 108.239 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.57 -13.9 62.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.522 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' B' ' 82' ' ' THR . 9.0 t-160 -98.24 -37.69 9.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.447 -0.783 . . . . 0.0 109.489 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 90' ' ' HIS . 24.0 mt-10 -74.93 -45.12 44.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.895 -1.128 . . . . 0.0 108.872 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.45 -51.49 35.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.642 -0.661 . . . . 0.0 109.516 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.88 -25.12 67.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.624 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -98.45 -5.19 32.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.274 -0.891 . . . . 0.0 109.639 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 86' ' ' GLU . 2.3 t60 -63.51 100.3 0.26 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.713 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.569 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.4 p -130.04 -164.18 1.39 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.265 -0.897 . . . . 0.0 109.875 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.88 -26.37 5.75 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.75 -27.32 40.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.055 -1.028 . . . . 0.0 109.196 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -75.01 -29.26 60.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.859 -1.15 . . . . 0.0 108.913 179.55 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -69.42 -46.49 66.68 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -54.75 35.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.473 -0.767 . . . . 0.0 110.438 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.467 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 7.3 mtm -52.96 -37.73 61.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -75.82 -42.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.958 -1.089 . . . . 0.0 108.91 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.21 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.253 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.26 -48.84 12.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.715 -1.241 . . . . 0.0 110.867 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.32 -28.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.847 -1.158 . . . . 0.0 109.536 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.28 -51.66 9.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 109.566 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -76.11 -27.05 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.067 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 25' ' ' HIS . 3.1 t80 -73.22 -43.08 61.86 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.126 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -78.04 -29.79 49.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.928 -1.108 . . . . 0.0 110.857 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -67.15 -34.33 77.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.905 -1.122 . . . . 0.0 110.282 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 29.5 m-85 -90.67 -56.58 3.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 108.802 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 3.3 t -53.37 -21.73 6.31 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.135 -0.978 . . . . 0.0 108.527 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.73 -1.9 56.32 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -60.84 -43.49 98.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.928 -1.337 . . . . 0.0 109.197 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 4.8 pt-20 -164.25 173.86 11.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -162.19 25.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.76 -82.75 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.252 -1.146 . . . . 0.0 109.521 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -171.31 -9.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.294 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 1.9 t60 -160.24 53.23 0.33 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.628 -1.295 . . . . 0.0 110.723 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' N ' ' OG ' ' A' ' 18' ' ' SER . 1.5 tppp? -136.78 147.94 46.93 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 1.8 tt -87.05 125.81 34.35 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.893 -1.129 . . . . 0.0 109.822 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -102.99 146.7 27.94 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.9 mtmt -47.17 -46.9 24.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.372 -1.455 . . . . 0.0 109.107 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -49.33 -14.03 0.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.102 -0.999 . . . . 0.0 108.977 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 88.6 mt-10 -101.93 -36.6 8.57 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -47.69 70.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.82 -1.175 . . . . 0.0 108.922 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -69.81 -37.5 76.27 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.39 -33.74 48.6 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.228 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' GLU . 15.3 tp -71.76 -32.62 67.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.29 -37.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.476 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.84 -23.72 33.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.261 -0.899 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.7 m-20 -97.97 -44.33 6.71 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.913 -1.117 . . . . 0.0 111.817 -177.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' SER . 56.8 mm-40 -100.19 -70.19 0.74 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.019 -1.05 . . . . 0.0 109.918 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mt -72.37 39.33 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 108.774 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.6 t -86.75 -22.1 26.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.518 -1.364 . . . . 0.0 110.216 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -94.64 -17.49 22.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 0.0 110.235 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -109.88 -44.57 3.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.37 133.45 42.75 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.143 -0.973 . . . . 0.0 109.019 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.28 135.14 33.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.62 103.85 0.73 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.92 139.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.96 -1.087 . . . . 0.0 108.918 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -119.01 -11.08 9.71 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.26 119.06 34.54 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.605 ' NE2' ' H ' ' A' ' 51' ' ' GLU . 1.7 pm0 -58.08 -21.37 45.64 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.425 -0.797 . . . . 0.0 110.265 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 39.8 tt0 -42.12 -43.44 3.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.121 -0.987 . . . . 0.0 111.685 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.9 m -77.45 -38.26 26.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.59 -1.319 . . . . 0.0 107.953 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -24.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLN . 18.8 m-20 -76.98 -31.77 56.77 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.2 tmmt? -79.23 -53.22 7.17 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -50.1 -42.55 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 108.696 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.503 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 mmt -60.82 -30.64 70.2 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' LYS . 21.6 tt0 -67.34 -27.76 67.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.36 -0.837 . . . . 0.0 108.878 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.9 m -91.44 -32.02 15.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.448 -0.783 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.4 mm? -97.41 -45.22 6.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.11 -0.994 . . . . 0.0 111.022 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 37.4 t0 -54.92 109.38 0.51 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.209 -1.557 . . . . 0.0 109.245 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -90.67 -36.11 14.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.24 -4.54 58.52 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.05 44.27 88.26 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 13.4 p30 -102.34 -5.01 24.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.792 -0.828 . . . . 0.0 110.306 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.87 6.93 88.58 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.01 152.96 50.83 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.7 m -113.9 98.81 7.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.223 -0.923 . . . . 0.0 110.513 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.75 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.705 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.3 p90 -76.01 -31.29 58.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 111.058 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.99 -44.6 79.99 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 111.12 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -90.09 -31.73 17.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.479 -1.388 . . . . 0.0 109.455 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 8.8 t80 -54.29 -41.39 68.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.512 -1.368 . . . . 0.0 108.873 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -42.31 87.46 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.44 -21.76 4.02 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.445 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.27 -53.17 11.52 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' ' OG1' ' A' ' 81' ' ' THR . 22.0 t -53.79 -33.18 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 82' ' ' THR . 1.9 t -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.783 0.802 . . . . 0.0 108.958 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.22 -32.25 64.65 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.496 -0.752 . . . . 0.0 109.834 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -32.65 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.448 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.9 m -68.49 -36.51 79.02 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 78' ' ' SER . 11.7 p -63.7 -40.24 96.29 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.438 -0.788 . . . . 0.0 110.256 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.7 74.0 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.661 -1.274 . . . . 0.0 107.898 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.5 m -70.36 -18.95 63.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' B' ' 25' ' ' HIS . 2.7 t-80 -92.72 -35.18 13.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 90' ' ' HIS . 8.0 pt-20 -74.93 -37.65 61.96 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.337 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.54 -57.18 13.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 109.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.56 -33.67 76.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -92.87 15.27 15.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 1.4 t-80 -68.24 99.96 0.98 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.047 -1.033 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.524 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 66.4 p -130.22 -164.4 1.42 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.369 -0.832 . . . . 0.0 109.804 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -50.64 -27.29 6.63 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' B' ' 3' ' ' LEU . 1.3 mm? -78.86 -27.31 44.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -74.95 -29.36 60.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.888 -1.133 . . . . 0.0 108.914 179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -69.35 -46.31 67.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -54.11 42.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.428 -0.795 . . . . 0.0 110.482 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.448 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.5 mtm -53.1 -37.7 61.94 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -75.71 -41.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.962 -1.086 . . . . 0.0 108.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.14 75.9 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.107 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.7 mp -80.1 -49.01 12.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.725 -1.234 . . . . 0.0 110.93 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.3 mt -46.03 -28.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.765 -1.21 . . . . 0.0 109.733 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.38 -51.59 9.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.112 -0.993 . . . . 0.0 109.457 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t -76.15 -26.95 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.188 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' B' ' 25' ' ' HIS . 3.0 t80 -73.39 -42.91 61.55 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.098 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -78.09 -29.93 49.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.949 -1.094 . . . . 0.0 110.855 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -67.08 -34.24 77.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.034 -1.041 . . . . 0.0 110.305 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.78 -56.72 3.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.03 -1.044 . . . . 0.0 108.817 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 3.3 t -53.28 -21.59 5.71 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 108.418 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.82 -1.96 56.23 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -60.79 -43.66 97.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.817 -1.402 . . . . 0.0 109.194 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 4.9 pt-20 -164.11 173.79 12.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.352 -0.842 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.67 -162.35 25.4 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.44 -82.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.357 -1.084 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.413 ' H ' ' H ' ' B' ' 25' ' ' HIS . 45.1 tptt -171.33 -9.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.402 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CD2' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t60 -160.18 53.33 0.33 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.677 -1.264 . . . . 0.0 110.771 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.506 ' N ' ' OG ' ' B' ' 18' ' ' SER . 1.6 tppp? -137.02 147.89 46.51 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 1.8 tt -87.0 125.77 34.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.864 -1.147 . . . . 0.0 109.804 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -102.94 146.76 27.83 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' B' ' 31' ' ' GLU . 45.2 mtmt -47.23 -46.82 24.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.357 -1.464 . . . . 0.0 109.15 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -49.35 -13.95 0.09 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.14 -0.975 . . . . 0.0 109.081 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' B' ' 35' ' ' LEU . 88.7 mt-10 -101.9 -36.61 8.58 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -47.76 70.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.852 -1.155 . . . . 0.0 108.948 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -69.69 -37.75 76.73 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.17 -33.67 50.07 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.242 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 31' ' ' GLU . 15.4 tp -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.992 -1.067 . . . . 0.0 108.32 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -74.45 -36.99 43.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.428 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.91 -23.73 33.42 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.904 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 1.7 m-20 -97.88 -44.37 6.72 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.139 -0.976 . . . . 0.0 111.762 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' B' ' 41' ' ' SER . 56.6 mm-40 -100.09 -70.33 0.74 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.954 -1.091 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.39 39.33 0.08 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 108.83 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.6 t -86.69 -22.06 26.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.575 -1.328 . . . . 0.0 110.1 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -94.81 -17.58 21.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -109.82 -44.47 3.82 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.309 -0.869 . . . . 0.0 109.355 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.49 133.36 42.97 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 109.088 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.2 135.07 32.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.476 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.5 103.65 0.69 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.93 139.6 19.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 120.89 -1.131 . . . . 0.0 108.934 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -119.09 -10.97 9.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.16 118.79 33.81 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.61 ' NE2' ' H ' ' B' ' 51' ' ' GLU . 1.7 pm0 -57.84 -21.34 42.0 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.526 -0.734 . . . . 0.0 110.252 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.61 ' H ' ' NE2' ' B' ' 50' ' ' GLN . 39.9 tt0 -42.19 -43.36 3.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.078 -1.014 . . . . 0.0 111.748 -178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.425 ' H ' HG22 ' B' ' 52' ' ' VAL . 5.2 m -77.61 -37.91 25.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.622 -1.298 . . . . 0.0 107.932 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -23.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' B' ' 50' ' ' GLN . 18.5 m-20 -77.07 -31.68 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 58' ' ' GLU . 1.2 tmmt? -79.29 -53.17 7.21 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -50.18 -42.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.857 -1.152 . . . . 0.0 108.699 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.506 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 mmt -61.1 -30.55 70.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 55' ' ' LYS . 21.9 tt0 -67.46 -27.8 67.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 108.765 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.0 m -91.34 -31.95 15.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.53 -0.731 . . . . 0.0 109.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -97.48 -45.35 6.46 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.226 -0.921 . . . . 0.0 111.019 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 37.4 t0 -54.91 109.57 0.54 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.246 -1.534 . . . . 0.0 109.112 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -90.77 -36.14 14.45 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.14 -4.62 58.56 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.0 44.34 87.99 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 13.5 p30 -102.47 -4.82 24.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.782 -0.834 . . . . 0.0 110.366 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.82 6.77 88.53 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -131.83 152.88 50.7 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.506 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 52.5 m -113.69 98.69 7.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.375 -0.828 . . . . 0.0 110.627 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.356 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.3 p90 -76.0 -31.36 58.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.812 -1.18 . . . . 0.0 110.902 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.84 -44.46 80.98 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 111.172 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.6 pt-20 -90.39 -31.61 16.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.475 -1.391 . . . . 0.0 109.482 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 8.9 t80 -54.32 -41.86 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.591 -1.318 . . . . 0.0 108.839 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.95 89.52 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.86 -21.64 4.5 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.476 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -73.25 -53.22 11.43 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 81' ' ' THR . 21.8 t -53.57 -33.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 108.401 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.783 ' O ' HG23 ' B' ' 82' ' ' THR . 1.8 t -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.855 0.836 . . . . 0.0 108.985 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.06 -32.42 65.02 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.544 -0.723 . . . . 0.0 109.936 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.55 -32.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.467 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 45.3 m -68.44 -36.61 79.28 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.783 HG23 ' O ' ' B' ' 78' ' ' SER . 11.1 p -63.46 -40.43 97.1 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.357 -0.839 . . . . 0.0 110.213 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.77 74.14 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.715 -1.241 . . . . 0.0 107.931 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 m -70.26 -19.2 63.13 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' NE2' ' A' ' 25' ' ' HIS . 2.6 t-80 -92.5 -35.07 13.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.458 -0.777 . . . . 0.0 109.366 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 90' ' ' HIS . 8.1 pt-20 -74.97 -37.52 61.89 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.927 -1.109 . . . . 0.0 109.439 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.78 -57.04 14.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.428 -0.795 . . . . 0.0 109.166 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.56 -33.92 76.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.525 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -92.72 15.4 14.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.128 -0.983 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' B' ' 86' ' ' GLU . 1.4 t-80 -68.31 99.7 0.96 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.993 -1.067 . . . . 0.0 109.377 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.526 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 1' ' ' SER . 19.4 mmt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 0' ' ' MET . 0.7 OUTLIER 88.69 12.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.448 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.54 -29.31 58.71 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.31 -22.77 61.89 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.61 -27.99 37.16 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -50.36 60.21 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.18 0.514 . . . . 0.0 110.195 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.1 mtt -49.37 -41.51 39.39 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.161 -0.962 . . . . 0.0 109.454 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.73 -42.04 62.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.572 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.2 79.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.219 -0.925 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.3 mp -78.82 -44.88 22.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.819 -1.176 . . . . 0.0 110.123 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -46.3 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.98 -1.075 . . . . 0.0 109.342 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.54 -50.95 69.31 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.7 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.416 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.2 m-85 -71.89 -43.15 65.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.089 -1.007 . . . . 0.0 109.855 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.85 -37.62 55.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.967 . . . . 0.0 110.582 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.8 -38.73 83.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.87 -1.144 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -87.72 -58.94 2.39 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.031 -1.043 . . . . 0.0 110.298 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -57.62 -25.01 59.5 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 108.657 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.25 3.2 58.06 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -64.06 -42.87 96.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.925 -1.338 . . . . 0.0 108.957 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.13 155.32 32.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.473 -0.767 . . . . 0.0 109.27 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.15 16.37 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.14 -80.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.305 -1.115 . . . . 0.0 109.376 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.7 tmtt? -179.06 -7.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.986 -1.071 . . . . 0.0 109.259 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.1 m-70 -152.99 46.84 0.7 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 110.553 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 11.0 ttmm -133.8 146.27 50.53 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.2 tt -87.05 126.69 34.92 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 110.235 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 27.6 mttp -108.39 149.17 29.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' GLU . 25.7 mttp -43.53 -48.38 7.44 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.998 -1.064 . . . . 0.0 109.6 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -48.45 -12.09 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 29' ' ' LYS . 48.3 mt-10 -99.57 -42.82 6.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.261 -0.899 . . . . 0.0 109.378 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -51.67 65.63 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.221 -0.924 . . . . 0.0 108.996 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -66.0 -37.78 86.8 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.218 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -77.93 -33.73 51.6 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.58 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 49.6 tp -74.01 -33.06 63.65 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.306 -0.871 . . . . 0.0 108.825 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.07 -37.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -78.45 -22.25 47.9 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.722 -0.612 . . . . 0.0 111.443 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -94.03 -43.42 8.53 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.676 -1.265 . . . . 0.0 113.382 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' SER . 85.7 mt-10 -120.53 -51.12 2.18 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.796 -1.19 . . . . 0.0 110.354 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -79.0 21.22 0.44 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.58 -17.65 53.44 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -23.76 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.36 -55.33 2.49 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 131.1 36.9 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.47 150.39 22.73 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.997 -1.064 . . . . 0.0 108.745 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.66 99.32 0.78 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.103 -0.998 . . . . 0.0 108.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.67 140.75 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.135 -0.978 . . . . 0.0 109.487 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -106.57 -15.12 14.86 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -122.41 136.23 54.85 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -70.47 -17.06 62.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.671 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -47.18 -36.3 8.53 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.979 -1.075 . . . . 0.0 111.048 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 52' ' ' VAL . 2.4 m -77.76 -37.7 24.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.622 -1.299 . . . . 0.0 107.531 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -65.13 -23.92 34.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 178.502 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -77.83 -35.68 50.98 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -52.97 10.76 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.9 p -54.03 -40.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.769 -1.207 . . . . 0.0 108.012 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.535 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 10.7 mmm -65.49 -31.21 72.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.21 -38.72 92.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.0 109.068 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.3 m -79.1 -30.84 44.05 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.451 -0.78 . . . . 0.0 109.484 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -91.08 -43.17 10.07 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.182 -0.949 . . . . 0.0 110.844 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 108.46 0.46 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.492 -1.38 . . . . 0.0 110.68 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -86.56 -43.15 12.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 31.4 p-10 -79.41 -2.05 40.01 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 43.67 84.7 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 107.767 -2.133 . . . . 0.0 107.767 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 30.6 p-10 -95.78 -5.42 41.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.629 -0.924 . . . . 0.0 109.983 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.6 -1.38 37.26 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 107.942 -2.063 . . . . 0.0 107.942 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 65' ' ' ASP . 42.3 mt-10 -122.72 160.3 26.18 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 57.3 m -126.18 96.61 4.78 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.294 -0.879 . . . . 0.0 110.955 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -52.33 -170.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.632 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -77.99 -31.75 50.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.393 -1.442 . . . . 0.0 112.038 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -75.67 -32.84 60.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.633 -1.292 . . . . 0.0 109.486 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 27.3 tt0 -86.54 -40.51 15.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 108.539 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.1 t80 -54.97 -39.96 69.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.198 -0.939 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 1.1 ttt -62.52 -44.33 96.63 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.65 -22.23 1.95 Allowed 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.587 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.4 -48.69 21.76 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.033 -1.042 . . . . 0.0 108.243 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.4 t -57.61 -38.44 64.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.16 -0.963 . . . . 0.0 109.226 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.75 -31.46 71.38 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.059 -1.026 . . . . 0.0 109.481 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.72 -25.45 62.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.35 -36.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.63 -35.11 70.32 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 179.378 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 78' ' ' SER . 17.7 p -63.55 -39.33 94.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 110.314 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.26 84.67 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.685 -1.259 . . . . 0.0 108.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.1 t -61.4 -15.09 33.3 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.562 -0.855 . . . . 0.0 108.772 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -100.34 -34.96 9.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.494 -0.754 . . . . 0.0 109.251 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.35 -46.59 66.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.648 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.93 -41.73 91.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.237 -0.914 . . . . 0.0 109.155 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -55.56 -20.05 12.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 0.0 109.741 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.29 -16.53 19.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.085 -1.009 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.14 103.48 0.48 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.682 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.616 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.519 ' O ' ' CB ' ' B' ' 1' ' ' SER . 19.6 mmt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 0' ' ' MET . 0.7 OUTLIER 88.74 13.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.9 -29.07 59.44 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.446 HD23 ' OE1' ' A' ' 39' ' ' GLU . 1.5 mm? -71.3 -22.94 61.87 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -80.4 -28.14 37.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -44.34 85.0 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.04 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.182 0.515 . . . . 0.0 110.268 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.3 mtt -49.19 -41.58 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 0.0 109.46 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.86 -42.24 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.481 -0.762 . . . . 0.0 109.451 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.2 79.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.902 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.2 mp -78.76 -44.97 22.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.875 -1.141 . . . . 0.0 110.12 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.81 -46.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.107 -0.996 . . . . 0.0 109.379 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.27 -51.15 68.87 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.305 -0.872 . . . . 0.0 109.96 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.0 110.37 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.2 m-85 -71.8 -43.29 65.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.021 -1.05 . . . . 0.0 109.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.82 -37.49 55.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.1 -1.0 . . . . 0.0 110.5 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -67.74 -38.91 84.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.941 -1.099 . . . . 0.0 110.23 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -87.74 -58.89 2.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.996 -1.065 . . . . 0.0 110.257 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.3 p -57.6 -24.91 58.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.915 -1.116 . . . . 0.0 108.626 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.4 3.19 57.85 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -63.89 -42.88 97.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.92 -1.341 . . . . 0.0 108.971 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.14 155.63 32.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.403 -0.81 . . . . 0.0 109.277 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.66 -162.52 16.52 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.98 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -1.074 . . . . 0.0 109.482 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.54 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.9 tmtt? -179.12 -7.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.07 -1.019 . . . . 0.0 109.316 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.6 m-70 -153.2 46.88 0.68 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.93 -1.106 . . . . 0.0 110.507 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.465 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 10.8 ttmm -133.74 146.37 50.7 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' B' ' 73' ' ' PHE . 7.2 tt -87.09 126.65 34.9 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.29 -0.882 . . . . 0.0 110.139 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 28.3 mttp -108.25 149.32 28.76 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 31' ' ' GLU . 26.8 mttp -43.93 -48.2 8.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.864 -1.148 . . . . 0.0 109.641 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -48.49 -12.06 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.359 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 35' ' ' LEU . 47.9 mt-10 -99.55 -42.84 6.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.247 -0.908 . . . . 0.0 109.377 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -51.27 66.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 108.991 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.137 -0.977 . . . . 0.0 109.19 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -77.84 -33.74 52.18 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.528 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 31' ' ' GLU . 49.9 tp -74.04 -32.96 63.55 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.341 -0.849 . . . . 0.0 108.803 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.12 -37.66 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -78.38 -22.2 48.23 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 111.242 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -94.0 -43.68 8.42 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.571 -1.33 . . . . 0.0 113.295 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' B' ' 41' ' ' SER . 85.3 mt-10 -120.49 -50.98 2.19 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.695 -1.253 . . . . 0.0 110.304 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -79.01 21.13 0.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.469 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -79.56 -17.64 53.51 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -23.94 21.86 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -102.2 -54.99 2.57 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.5 mm? -91.48 131.1 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.56 150.2 23.56 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.075 -1.016 . . . . 0.0 108.755 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.25 99.2 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.975 -1.078 . . . . 0.0 108.976 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.74 140.66 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -106.5 -15.12 14.88 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -122.35 136.16 54.85 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.46 -17.07 62.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.114 -0.991 . . . . 0.0 109.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -47.35 -36.08 9.02 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.911 -1.118 . . . . 0.0 111.028 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.405 HG22 ' H ' ' B' ' 52' ' ' VAL . 2.4 m -77.84 -37.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -65.04 -23.91 34.38 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.449 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -77.89 -35.63 50.55 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -52.76 11.36 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.6 p -54.16 -40.19 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.881 -1.137 . . . . 0.0 107.932 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.52 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 11.5 mmm -65.53 -31.15 72.06 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.29 -38.45 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.176 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -79.35 -30.53 42.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.38 -0.825 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.3 mm? -91.25 -43.27 9.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.231 -0.918 . . . . 0.0 110.864 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 7.2 m-20 -56.02 108.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.478 -1.389 . . . . 0.0 110.606 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -86.4 -43.08 13.12 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.1 p-10 -79.38 -2.16 40.42 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.38 43.61 84.88 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 30.9 p-10 -95.8 -5.4 41.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.708 -0.877 . . . . 0.0 110.095 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.37 -1.28 36.1 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 65' ' ' ASP . 41.9 mt-10 -122.67 160.06 26.61 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.52 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 56.0 m -126.05 96.49 4.75 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.239 -0.913 . . . . 0.0 111.04 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -52.28 -170.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -77.95 -31.54 50.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.452 -1.405 . . . . 0.0 112.002 -178.668 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -75.91 -32.57 59.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.534 -1.354 . . . . 0.0 109.648 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.442 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 27.6 tt0 -86.69 -40.56 14.96 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.608 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.537 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.2 t80 -55.02 -40.0 69.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.861 . . . . 0.0 109.223 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.51 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -62.34 -44.51 96.32 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.33 -22.5 1.85 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.585 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -75.41 -48.67 21.77 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.042 -1.036 . . . . 0.0 108.333 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' B' ' 81' ' ' THR . 21.7 t -57.64 -38.31 63.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.245 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -67.97 -31.29 70.91 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.153 -0.967 . . . . 0.0 109.517 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.7 -25.53 62.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.18 -36.43 10.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.78 -34.99 69.89 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 78' ' ' SER . 18.0 p -63.69 -39.32 94.03 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.388 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.34 84.44 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.75 -1.219 . . . . 0.0 108.669 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.28 -15.27 33.51 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.532 -0.867 . . . . 0.0 108.733 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -100.08 -35.0 9.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 109.207 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.45 -46.36 66.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.997 -1.065 . . . . 0.0 109.629 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -41.6 90.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 109.218 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.53 -20.24 12.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.723 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -97.97 -16.79 19.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 109.698 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.02 103.51 0.47 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.036 -1.04 . . . . 0.0 108.725 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.549 -179.79 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.5 p -108.52 -175.07 2.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.331 -0.856 . . . . 0.0 110.102 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -50.93 -29.94 13.48 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' B' ' 13' ' ' VAL . 1.5 mm? -78.01 -27.12 48.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.131 -0.981 . . . . 0.0 109.836 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 2.2 tm-20 -74.1 -30.72 62.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.594 -1.316 . . . . 0.0 109.021 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -71.09 -47.12 60.01 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.99 -53.64 56.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.55 -0.719 . . . . 0.0 110.115 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 mtt -55.48 -38.74 69.52 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.1 -1.0 . . . . 0.0 109.135 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.44 -53.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.028 -1.045 . . . . 0.0 108.657 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.58 -37.73 41.49 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.736 -0.602 . . . . 0.0 110.385 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' PHE . 9.7 mp -79.33 -45.32 19.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.778 -1.201 . . . . 0.0 110.61 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.39 -35.48 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.609 -1.307 . . . . 0.0 109.918 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.85 -50.77 12.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.671 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' B' ' 3' ' ' LEU . 46.9 t -73.76 -25.7 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.231 -0.918 . . . . 0.0 109.376 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.9 t80 -66.69 -45.86 77.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.616 -0.677 . . . . 0.0 110.133 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -40.25 40.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.95 -44.31 40.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.079 -1.013 . . . . 0.0 110.656 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.28 -57.73 2.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 9.2 t -48.77 -28.85 3.94 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.084 -1.01 . . . . 0.0 108.834 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.15 2.98 51.19 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.42 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -63.44 -36.39 83.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.213 -1.757 . . . . 0.0 110.683 -179.089 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 20.8 pt-20 -163.0 166.13 24.1 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.465 -1.397 . . . . 0.0 111.389 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 74.67 -136.59 21.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLY . 17.4 m-20 -54.88 -113.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.841 -0.799 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -171.99 -17.83 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.923 -1.11 . . . . 0.0 110.162 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.79 33.3 3.47 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.769 -1.207 . . . . 0.0 111.366 -178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 18' ' ' SER . 28.0 mtmt -143.25 150.99 40.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.892 -1.13 . . . . 0.0 108.449 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 73' ' ' PHE . 2.1 mp -95.07 138.15 33.17 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.115 0.96 . . . . 0.0 110.077 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 41.8 mttm -108.15 156.77 18.93 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.6 mttm -46.79 -47.44 20.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.988 -1.07 . . . . 0.0 109.674 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.92 -11.23 0.15 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.141 -0.975 . . . . 0.0 109.038 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 31.5 mt-10 -100.05 -35.88 9.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.387 -0.821 . . . . 0.0 108.959 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -60.75 2.74 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.1 -34.45 72.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.428 -0.795 . . . . 0.0 109.974 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -82.59 -38.73 23.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 110.437 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.5 tp -72.78 -32.11 65.35 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 47' ' ' ILE . 64.7 mt -72.49 -41.05 64.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.597 -0.69 . . . . 0.0 109.345 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.6 m-20 -82.94 -24.75 32.9 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.263 -0.898 . . . . 0.0 111.1 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.33 -43.68 7.57 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.958 -1.089 . . . . 0.0 111.291 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.8 tp10 -98.99 -66.84 0.88 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.988 -1.07 . . . . 0.0 110.328 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 2.4 mt -76.55 39.3 0.21 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 108.826 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -87.34 -17.04 33.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.912 . . . . 0.0 110.041 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.5 p80 -99.85 -27.91 13.38 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.835 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.406 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.0 m-85 -98.76 -62.35 1.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 36' ' ' ILE . 37.7 tp -76.57 137.54 39.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.022 -1.048 . . . . 0.0 108.236 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -49.39 136.72 15.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.018 -1.051 . . . . 0.0 109.877 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.7 103.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.493 -0.754 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 36' ' ' ILE . 4.0 mt -74.38 128.64 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 108.936 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -114.26 -25.34 8.5 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.712 . . . . 0.0 109.345 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -97.36 157.86 15.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.34 -0.85 . . . . 0.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -95.1 -29.55 14.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.303 -0.873 . . . . 0.0 109.787 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -52.44 -26.81 13.75 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.145 -0.972 . . . . 0.0 110.005 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.2 m -76.22 -38.92 34.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.54 -23.71 33.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 177.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.07 -35.94 56.23 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLU . 45.4 tttt -73.08 -57.66 3.87 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.24 -44.51 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.39 -38.42 80.49 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' LYS . 6.2 tp10 -64.29 -29.89 70.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 109.512 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.2 m -88.97 -27.75 20.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 75' ' ' ALA . 20.4 tp -105.2 -38.19 6.63 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 110.904 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.2 t0 -58.32 101.22 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.446 -1.409 . . . . 0.0 109.707 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.32 -31.01 16.25 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.37 -5.11 59.04 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 43.05 96.64 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.3 p-10 -103.93 -5.7 22.01 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.552 -0.97 . . . . 0.0 110.04 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.22 0.22 35.36 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 65' ' ' ASP . 80.2 mt-10 -127.5 164.86 20.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 69' ' ' ASP . 81.1 m -127.43 97.61 4.95 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.288 -0.883 . . . . 0.0 110.776 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -55.29 -163.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.715 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -74.3 -45.0 50.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.23 -1.544 . . . . 0.0 111.278 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -62.75 -29.61 70.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.88 -1.137 . . . . 0.0 110.324 -178.274 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 35.8 tt0 -92.5 -40.78 10.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.65 -1.281 . . . . 0.0 108.83 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 27' ' ' LEU . 6.2 t80 -55.26 -42.75 73.94 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.11 -0.994 . . . . 0.0 108.858 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.76 91.8 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.15 -17.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.41 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -75.14 -56.63 4.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.9 -1.125 . . . . 0.0 108.713 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.11 -33.68 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 108.642 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 8.3 t -62.72 -36.45 83.02 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.586 0.708 . . . . 0.0 109.449 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttp -72.72 -25.73 61.32 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.21 -38.03 12.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -38.14 82.78 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 30.0 p -65.87 -40.2 91.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.81 -178.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.53 89.54 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.499 -1.375 . . . . 0.0 108.323 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.16 -10.07 37.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.493 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.427 ' HE2' ' CE1' ' B' ' 15' ' ' HIS . 3.4 t-160 -101.68 -42.57 6.15 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 90' ' ' HIS . 11.6 tp10 -69.55 -38.97 77.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.26 -58.3 9.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.5 -30.78 71.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.002 . . . . 0.0 109.418 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -91.36 7.67 39.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.874 . . . . 0.0 109.47 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 86' ' ' GLU . 20.4 t-160 -67.79 101.56 1.08 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.067 -1.021 . . . . 0.0 108.819 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.503 -179.795 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 17.0 p -108.85 -174.86 2.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.365 -0.835 . . . . 0.0 110.158 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -51.16 -29.62 14.31 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 13' ' ' VAL . 1.6 mm? -78.55 -27.02 45.79 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.352 -0.843 . . . . 0.0 109.662 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 2.2 tm-20 -74.23 -30.9 62.38 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.703 -1.248 . . . . 0.0 108.955 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.98 -46.9 61.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.502 -0.749 . . . . 0.0 108.994 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.04 62.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 0.0 110.189 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.104 -0.997 . . . . 0.0 109.175 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.32 -53.12 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.155 -0.965 . . . . 0.0 108.644 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.09 -37.52 46.25 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.673 -0.642 . . . . 0.0 110.45 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 14' ' ' PHE . 9.7 mp -79.26 -45.33 19.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.673 -1.267 . . . . 0.0 110.535 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' B' ' 10' ' ' LEU . 2.9 mm -44.43 -35.43 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.583 -1.323 . . . . 0.0 109.967 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.72 -50.93 12.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.065 -1.022 . . . . 0.0 109.672 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' A' ' 3' ' ' LEU . 43.5 t -73.71 -25.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 109.529 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.9 t80 -66.71 -45.77 77.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.238 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.427 ' CE1' ' HE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -77.9 -40.22 40.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.98 -44.34 40.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.168 -0.957 . . . . 0.0 110.691 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.32 -57.62 2.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.113 -0.992 . . . . 0.0 109.455 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 9.3 t -48.84 -28.7 3.92 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.018 -1.051 . . . . 0.0 108.891 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.26 2.83 50.76 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.559 -0.713 . . . . 0.0 111.409 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -63.46 -36.19 82.93 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.165 -1.785 . . . . 0.0 110.67 -178.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' B' ' 20' ' ' ARG . 20.6 pt-20 -163.11 166.18 23.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.523 -1.36 . . . . 0.0 111.267 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 74.57 -136.84 21.67 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLY . 17.2 m-20 -54.79 -113.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.854 -0.792 . . . . 0.0 110.084 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -172.09 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.74 33.29 3.49 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.691 -1.256 . . . . 0.0 111.334 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.529 ' N ' ' OG ' ' B' ' 18' ' ' SER . 28.7 mtmt -143.21 150.77 39.81 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.88 -1.137 . . . . 0.0 108.447 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.2 mp -95.04 137.94 33.42 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.098 0.951 . . . . 0.0 110.049 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 41.7 mttm -108.18 156.65 19.09 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' C ' ' N ' ' B' ' 31' ' ' GLU . 55.3 mttm -46.64 -47.64 20.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.979 -1.076 . . . . 0.0 109.691 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -51.82 -11.16 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.182 -0.949 . . . . 0.0 109.025 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 28' ' ' LYS . 32.3 mt-10 -99.96 -35.84 9.59 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.46 -0.775 . . . . 0.0 109.054 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' B' ' 32' ' ' LEU . 1.0 OUTLIER -64.46 -60.97 2.53 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.31 -34.43 72.32 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.382 -0.824 . . . . 0.0 109.947 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -82.52 -38.84 23.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.214 -0.929 . . . . 0.0 110.372 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' B' ' 31' ' ' GLU . 14.2 tp -72.57 -32.59 66.14 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.561 HG21 HD12 ' B' ' 47' ' ' ILE . 62.5 mt -71.93 -41.46 68.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.608 -0.682 . . . . 0.0 109.423 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.454 ' O ' ' OG ' ' B' ' 41' ' ' SER . 15.8 m-20 -82.74 -24.79 33.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.331 -0.856 . . . . 0.0 111.15 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.19 -43.62 7.65 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.964 -1.085 . . . . 0.0 111.427 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.7 tp10 -99.19 -66.88 0.87 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.972 -1.08 . . . . 0.0 110.327 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 2.2 mt -76.27 39.31 0.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.4 -17.37 32.43 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.0 110.014 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.5 p80 -99.43 -28.2 13.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.169 -0.957 . . . . 0.0 109.82 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.415 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.0 m-85 -98.46 -62.4 1.25 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.55 137.45 39.57 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.022 -1.049 . . . . 0.0 108.249 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -49.48 136.96 15.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.065 -1.022 . . . . 0.0 109.744 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.71 103.12 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.76 . . . . 0.0 109.608 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.561 HD12 HG21 ' B' ' 36' ' ' ILE . 4.0 mt -74.31 128.78 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 108.883 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -114.51 -25.23 8.44 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.571 -0.706 . . . . 0.0 109.367 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.36 157.9 15.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.301 -0.875 . . . . 0.0 109.212 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.16 -29.46 14.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.197 -0.939 . . . . 0.0 109.747 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -52.53 -26.87 14.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.19 -0.943 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.448 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.0 m -76.01 -38.89 36.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.448 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.43 -23.91 33.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -35.73 56.94 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' GLU . 45.8 tttt -73.22 -57.86 3.72 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -45.2 -44.51 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.33 -38.53 80.57 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.016 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 55' ' ' LYS . 6.2 tp10 -64.16 -30.11 71.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 46.8 m -88.82 -27.52 21.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.613 -0.679 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' B' ' 75' ' ' ALA . 20.1 tp -105.17 -38.46 6.54 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 110.938 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -57.97 101.29 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.445 -1.41 . . . . 0.0 109.622 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.47 -30.98 16.16 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -5.11 59.05 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 42.82 96.58 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.474 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 33.8 p-10 -103.97 -5.73 21.93 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.502 -0.999 . . . . 0.0 109.848 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.31 0.38 36.96 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.018 -2.033 . . . . 0.0 108.018 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 65' ' ' ASP . 80.0 mt-10 -127.64 164.96 20.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' ASP . 83.5 m -127.53 97.52 4.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.261 -0.9 . . . . 0.0 110.779 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.2 OUTLIER -55.17 -163.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -74.6 -45.01 47.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.164 -1.585 . . . . 0.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -62.54 -29.67 70.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.101 . . . . 0.0 110.4 -178.402 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 35.5 tt0 -92.5 -40.82 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.707 -1.246 . . . . 0.0 108.768 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' B' ' 27' ' ' LEU . 6.1 t80 -55.23 -42.61 73.61 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.102 -0.999 . . . . 0.0 108.921 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -45.69 92.34 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.04 -17.79 1.17 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.463 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.91 -56.73 4.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.949 -1.095 . . . . 0.0 108.774 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.34 -33.32 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.774 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -63.28 -36.13 82.65 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.577 0.703 . . . . 0.0 109.38 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 ttp -72.79 -25.94 61.34 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.95 -38.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -67.96 -37.89 82.11 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.774 HG23 ' O ' ' B' ' 78' ' ' SER . 32.2 p -66.08 -40.14 90.59 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.027 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.34 90.12 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.584 -1.323 . . . . 0.0 108.267 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.2 -10.1 38.4 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -101.71 -42.54 6.15 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 90' ' ' HIS . 11.6 tp10 -69.64 -39.03 77.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.307 -0.871 . . . . 0.0 109.934 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.12 -58.43 8.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.242 -0.911 . . . . 0.0 109.66 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.26 -31.23 72.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.114 -0.991 . . . . 0.0 109.417 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.79 7.29 40.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.329 -0.857 . . . . 0.0 109.541 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' B' ' 86' ' ' GLU . 20.4 t-160 -67.56 101.48 1.01 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.05 . . . . 0.0 108.887 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.444 -179.885 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.4 t -93.43 78.85 4.39 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.264 -0.897 . . . . 0.0 109.974 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 12' ' ' ASP . 31.6 mt-10 -53.2 -29.96 34.98 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -25.02 61.31 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.63 -0.669 . . . . 0.0 110.797 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -65.52 -50.61 64.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.726 -1.234 . . . . 0.0 108.715 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.747 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -52.91 -45.14 67.46 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.65 -56.17 23.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.826 -0.546 . . . . 0.0 111.643 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 ptp -66.41 -28.42 68.61 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.749 -1.219 . . . . 0.0 109.33 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.9 -55.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.133 -0.98 . . . . 0.0 108.778 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.27 -32.69 17.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.617 -0.677 . . . . 0.0 110.112 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' PHE . 3.5 mt -77.28 -42.93 35.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.861 -1.149 . . . . 0.0 110.237 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.24 -35.14 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 109.201 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' B' ' 2' ' ' GLU . 24.8 t70 -71.64 -50.9 26.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.93 -25.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.652 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 10.5 t80 -73.49 -47.76 38.65 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.387 -0.821 . . . . 0.0 109.763 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -30.44 61.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.094 -1.003 . . . . 0.0 109.889 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -67.49 -40.59 85.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.041 -1.037 . . . . 0.0 110.338 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -88.81 -57.69 2.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 108.636 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.511 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 m -53.37 -20.38 4.43 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.8 -3.03 56.18 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -61.19 -43.83 98.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.412 . . . . 0.0 108.477 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -162.97 171.25 16.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.773 . . . . 0.0 109.592 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.16 -167.31 23.75 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.08 -68.03 0.23 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.2 -1.176 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -41.05 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.306 -0.871 . . . . 0.0 109.653 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -133.33 64.8 1.6 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.089 -1.007 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -144.07 149.42 36.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mp -97.59 129.28 44.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.996 -1.065 . . . . 0.0 111.039 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mtmp? -107.9 157.92 17.78 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.8 ttpt -45.53 -47.62 14.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.998 -1.064 . . . . 0.0 109.351 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 m -48.62 -15.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.26 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LYS . 29.5 mt-10 -99.19 -42.88 6.85 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.211 -0.931 . . . . 0.0 108.847 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -60.92 -51.23 70.14 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.146 -0.971 . . . . 0.0 109.428 -179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.89 -36.29 81.96 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.083 -1.011 . . . . 0.0 109.635 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.41 -30.8 42.55 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.064 -1.023 . . . . 0.0 109.761 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' GLU . 27.3 tp -71.7 -34.22 69.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.116 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 pt -78.7 -33.3 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.733 -1.23 . . . . 0.0 109.542 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.02 -22.61 45.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -97.95 -42.8 7.36 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.244 -0.91 . . . . 0.0 111.829 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' SER . 10.0 mm-40 -105.92 -67.63 0.92 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.954 -1.091 . . . . 0.0 110.535 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -74.0 35.5 0.09 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.16 -0.962 . . . . 0.0 109.499 -179.129 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.03 -20.84 26.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.119 -0.988 . . . . 0.0 109.899 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.66 -22.37 34.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.11 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.11 -45.12 3.08 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 135.63 33.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -69.37 142.37 53.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.247 -0.908 . . . . 0.0 109.362 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 111.08 6.68 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.89 129.04 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.095 -1.003 . . . . 0.0 110.252 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.62 -8.26 44.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -123.49 133.04 54.08 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -73.98 -13.69 60.91 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.215 -0.928 . . . . 0.0 108.963 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -39.15 -48.99 1.8 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.68 . . . . 0.0 112.178 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.0 m -71.33 -35.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 C-N-CA 118.286 -1.366 . . . . 0.0 107.868 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -66.68 -23.94 32.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.501 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 97.3 m-20 -79.14 -35.83 41.45 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.38 -47.44 19.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -53.45 -43.36 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -50.48 -38.63 45.02 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.83 -29.34 70.66 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 28.0 m -87.58 -28.4 21.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.474 -0.766 . . . . 0.0 109.527 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.37 -49.17 4.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.303 -0.873 . . . . 0.0 110.457 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' MET . 44.7 t0 -55.93 104.2 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.616 -1.302 . . . . 0.0 109.823 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.81 -40.56 11.72 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.4 p30 -80.5 -4.96 55.85 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.49 46.65 75.58 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 108.609 -1.796 . . . . 0.0 108.609 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 15.4 p30 -100.51 -5.32 27.12 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.372 -1.075 . . . . 0.0 110.041 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.52 -3.21 26.26 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.062 -2.015 . . . . 0.0 108.062 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 65' ' ' ASP . 36.3 mt-10 -117.77 170.1 9.06 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -122.65 88.85 3.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.465 -0.772 . . . . 0.0 109.617 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 1.5 m-20 -52.31 -175.56 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.136 -0.978 . . . . 0.0 108.611 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.7 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.2 p90 -73.15 -28.69 62.38 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.689 -1.257 . . . . 0.0 111.108 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -69.88 -47.29 63.12 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.31 -0.869 . . . . 0.0 111.853 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -87.0 -30.07 21.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.536 -1.353 . . . . 0.0 108.531 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 76' ' ' PHE . 2.0 t80 -52.69 -46.77 67.42 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.792 -1.192 . . . . 0.0 108.265 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -43.29 95.07 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -53.26 -19.35 3.1 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 30.3 t80 -72.89 -53.63 10.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.78 -1.2 . . . . 0.0 107.905 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -58.28 -32.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 82' ' ' THR . 21.9 p -59.25 -38.42 80.03 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.764 . . . . 0.0 109.285 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.8 ttm -72.12 -27.57 62.71 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.34 -39.99 19.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -66.59 -36.6 83.01 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' B' ' 70' ' ' PHE . 26.9 p -67.25 -38.96 86.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.93 -1.106 . . . . 0.0 111.271 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.92 78.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.459 -1.401 . . . . 0.0 109.019 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.1 t -61.23 -11.07 8.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.289 -0.882 . . . . 0.0 108.707 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -105.95 -35.14 7.39 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -75.21 -45.83 37.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.143 -0.973 . . . . 0.0 109.29 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.18 -27.86 67.62 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 3.1 m-85 -68.03 -45.37 74.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.174 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.45 -102.26 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.15 -0.969 . . . . 0.0 108.596 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.38 98.97 2.33 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 108.69 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.695 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.4 t -93.48 79.06 4.36 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.323 -0.861 . . . . 0.0 109.953 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 32.5 mt-10 -53.42 -29.98 37.97 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -24.96 61.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.647 -0.658 . . . . 0.0 110.796 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -65.65 -50.18 65.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.851 -1.156 . . . . 0.0 108.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.749 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 0.3 OUTLIER -53.32 -44.99 68.84 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.22 22.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.777 -0.577 . . . . 0.0 111.597 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.9 ptp -66.46 -28.29 68.47 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.78 -1.2 . . . . 0.0 109.329 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.89 -55.29 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.017 -1.052 . . . . 0.0 108.811 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.85 16.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.59 -0.694 . . . . 0.0 110.126 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 3.4 mt -77.29 -42.82 35.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.809 -1.182 . . . . 0.0 110.292 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -47.38 -35.05 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.756 -1.215 . . . . 0.0 109.105 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.426 ' OD2' ' OE2' ' A' ' 2' ' ' GLU . 25.0 t70 -71.64 -51.22 24.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.138 -0.976 . . . . 0.0 109.718 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -76.67 -26.04 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 10.8 t80 -73.42 -47.97 37.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.309 -0.869 . . . . 0.0 109.798 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -30.34 61.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -67.62 -40.46 84.66 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.068 -1.02 . . . . 0.0 110.335 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -89.04 -57.38 2.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.996 -1.065 . . . . 0.0 108.635 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 2.6 m -53.52 -20.39 4.88 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.87 -2.99 56.12 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -61.07 -43.82 98.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.843 -1.386 . . . . 0.0 108.538 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -162.91 171.01 17.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.456 -0.778 . . . . 0.0 109.634 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -167.46 23.78 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -46.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.193 -1.181 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.658 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -133.31 64.52 1.61 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.06 -1.025 . . . . 0.0 110.773 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -143.72 149.26 36.9 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' B' ' 73' ' ' PHE . 4.3 mp -97.45 129.28 44.67 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 122.299 1.047 . . . . 0.0 111.049 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 29' ' ' LYS . 2.5 mtmp? -107.96 157.78 17.92 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 31' ' ' GLU . 15.5 ttpt -45.23 -47.86 12.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.894 -1.129 . . . . 0.0 109.381 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -48.46 -15.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.244 -0.91 . . . . 0.0 109.227 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 31.5 mt-10 -99.2 -42.7 6.93 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.273 -0.892 . . . . 0.0 108.804 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.431 HD13 HG22 ' B' ' 53' ' ' VAL . 0.9 OUTLIER -61.02 -51.35 69.6 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.99 -36.26 81.77 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.996 -1.065 . . . . 0.0 109.66 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -79.35 -30.82 42.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.047 -1.033 . . . . 0.0 109.677 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.6 tp -72.01 -33.91 68.43 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.316 -0.865 . . . . 0.0 110.105 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.404 ' H ' HG12 ' B' ' 36' ' ' ILE . 3.9 pt -78.74 -33.36 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.696 -1.252 . . . . 0.0 109.545 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -78.94 -22.45 45.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -98.08 -42.96 7.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.175 -0.953 . . . . 0.0 111.822 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.8 mm-40 -105.89 -67.81 0.91 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.919 -1.113 . . . . 0.0 110.514 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -73.63 35.44 0.09 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.042 -1.037 . . . . 0.0 109.531 -179.264 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -87.04 -20.93 26.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.041 -1.037 . . . . 0.0 109.827 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.48 -22.33 35.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.062 -1.024 . . . . 0.0 109.254 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -114.23 -45.11 3.06 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.45 135.42 33.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.07 142.31 54.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.372 -0.83 . . . . 0.0 109.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 110.94 6.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.195 -0.94 . . . . 0.0 108.521 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.422 ' H ' HG23 ' B' ' 47' ' ' ILE . 1.5 pt -75.77 128.92 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.97 . . . . 0.0 110.353 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -92.65 -8.15 44.9 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -123.49 132.92 54.06 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -73.91 -13.57 60.92 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 108.938 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -39.06 -48.91 1.71 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.557 -0.714 . . . . 0.0 112.098 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 m -71.54 -35.37 56.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.484 -1.385 . . . . 0.0 107.996 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -66.65 -23.98 32.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.505 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 97.7 m-20 -79.08 -35.98 41.54 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.33 -47.66 19.4 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.7 OUTLIER -53.15 -43.31 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -50.61 -38.47 45.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.659 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -63.0 -29.35 70.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 56' ' ' VAL . 29.8 m -87.57 -28.6 21.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.438 -0.789 . . . . 0.0 109.61 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.23 -48.99 4.63 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.26 -0.9 . . . . 0.0 110.467 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 44.7 t0 -55.9 104.14 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.661 -1.274 . . . . 0.0 109.86 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -90.76 -40.57 11.74 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.3 p30 -80.63 -4.67 55.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.23 46.59 78.31 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 14.9 p30 -100.46 -5.28 27.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.248 -1.148 . . . . 0.0 110.025 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.21 -2.86 25.49 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 65' ' ' ASP . 37.1 mt-10 -117.88 169.94 9.22 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' B' ' 69' ' ' ASP . 96.2 m -122.53 89.07 3.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.393 -0.817 . . . . 0.0 109.664 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' B' ' 68' ' ' CYS . 1.4 m-20 -52.44 -175.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.9 . . . . 0.0 108.579 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.1 p90 -73.18 -28.47 62.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.807 -1.183 . . . . 0.0 111.132 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -70.15 -47.17 62.78 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.886 . . . . 0.0 111.833 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.4 pt-20 -86.98 -30.16 21.47 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.557 -1.34 . . . . 0.0 108.56 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' B' ' 27' ' ' LEU . 2.0 t80 -52.57 -46.7 66.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 108.17 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -53.38 -19.31 3.3 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 30.3 t80 -72.81 -53.57 11.16 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.835 -1.166 . . . . 0.0 107.914 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.31 -32.85 45.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.68 ' O ' HG23 ' B' ' 82' ' ' THR . 22.1 p -59.44 -38.18 80.05 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.585 0.707 . . . . 0.0 109.249 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.9 ttm -71.98 -27.85 63.03 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.27 -39.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 70.9 m -66.84 -36.56 82.63 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.7 HG21 ' CD1' ' A' ' 70' ' ' PHE . 27.0 p -67.28 -39.18 86.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.995 -1.066 . . . . 0.0 111.221 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.03 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.562 -1.336 . . . . 0.0 109.058 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 18.9 t -61.29 -10.79 7.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.772 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.05 -35.03 7.38 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -75.36 -46.0 35.82 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.227 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.01 -27.85 67.76 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.095 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 3.0 m-85 -67.95 -45.57 73.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 109.124 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.3 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.351 -0.939 . . . . 0.0 108.726 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -72.62 99.18 2.49 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.624 -179.678 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' A' ' 1' ' ' SER . 27.1 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.516 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.3 t 83.12 2.28 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.25 -30.25 37.17 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD11 HG11 ' B' ' 77' ' ' VAL . 21.2 tp -75.82 -24.98 55.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 1' ' ' SER . 17.5 tp10 -70.96 -37.14 72.78 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -40.67 96.02 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.7 -57.38 11.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.802 -0.562 . . . . 0.0 111.012 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -34.45 63.59 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.952 -1.093 . . . . 0.0 108.874 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.66 -56.48 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.973 -1.079 . . . . 0.0 108.621 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.62 59.26 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.43 0.634 . . . . 0.0 109.713 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -45.35 36.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.323 -0.86 . . . . 0.0 110.181 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -46.0 -34.97 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.901 -1.124 . . . . 0.0 108.999 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.95 -52.28 15.16 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.857 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.47 -26.71 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.034 . . . . 0.0 109.112 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -71.31 -52.45 18.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.004 -1.06 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.51 -32.85 68.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 0.0 110.721 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 3.8 tp-100 -67.24 -43.34 82.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.632 -1.292 . . . . 0.0 110.28 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 45.6 m-85 -86.67 -57.2 3.08 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.762 -1.211 . . . . 0.0 109.023 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -56.34 -29.86 61.88 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.236 -0.915 . . . . 0.0 108.948 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.2 1.72 77.51 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.38 -46.64 63.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.919 -1.342 . . . . 0.0 108.812 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.64 170.55 15.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.488 -0.757 . . . . 0.0 109.928 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.76 -170.48 38.28 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.749 -1.341 . . . . 0.0 109.749 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -48.72 -64.04 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -1.146 . . . . 0.0 108.766 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.8 tmtp? -178.19 -4.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.6 m-70 -153.51 50.3 0.69 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.066 -1.021 . . . . 0.0 110.761 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -133.02 145.74 51.11 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -94.41 125.67 39.2 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.387 -0.82 . . . . 0.0 111.038 -178.453 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -110.35 157.54 19.4 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -48.8 -44.14 38.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.773 -1.204 . . . . 0.0 109.447 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 m -51.61 -18.31 1.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.97 . . . . 0.0 108.932 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 35' ' ' LEU . 61.2 mt-10 -100.99 -38.57 8.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.625 -0.672 . . . . 0.0 109.345 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -44.56 76.06 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.05 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.94 -36.24 69.85 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 108.543 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.97 -32.73 39.83 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.543 -0.723 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 30.4 tp -71.6 -34.75 70.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -70.01 -38.35 75.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -81.21 -23.31 38.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 111.492 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.36 -44.0 9.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.659 -1.276 . . . . 0.0 111.896 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' B' ' 1' ' ' SER . 6.8 mm-40 -106.57 -57.74 2.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 3' ' ' LEU . 2.4 mt -81.09 34.93 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.148 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -20.18 29.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.945 -1.097 . . . . 0.0 109.532 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.72 -22.99 19.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.197 -0.939 . . . . 0.0 109.842 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CD1' ' CD ' ' B' ' 4' ' ' GLU . 41.1 m-85 -106.79 -51.8 2.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.466 -0.771 . . . . 0.0 109.71 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.2 mm? -89.57 134.38 34.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.048 -1.032 . . . . 0.0 108.803 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.629 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.9 pm0 -54.02 135.26 43.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.757 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 100.64 0.52 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.86 . . . . 0.0 109.136 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 pt -67.8 131.93 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.081 -1.012 . . . . 0.0 109.681 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -102.81 -15.06 16.36 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 mp0 -117.4 139.93 50.24 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -75.37 -16.6 60.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.33 -41.13 3.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.095 -1.003 . . . . 0.0 111.309 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.3 m -77.05 -37.94 27.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 120.71 -1.244 . . . . 0.0 107.864 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -62.1 -24.16 33.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -78.94 -35.94 42.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -72.41 -52.65 15.03 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.187 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 57' ' ' MET . 4.9 p -56.2 -41.57 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.006 -1.059 . . . . 0.0 108.442 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 17.3 mmm -63.5 -31.25 72.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.432 -0.792 . . . . 0.0 109.098 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.78 -32.16 73.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.436 -0.79 . . . . 0.0 109.535 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.7 m -88.09 -36.07 17.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.262 -0.899 . . . . 0.0 110.076 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.76 -46.96 13.51 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.083 -1.011 . . . . 0.0 110.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 43.7 t0 -55.75 108.92 0.49 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.406 -1.433 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -90.55 -45.68 8.78 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.2 p-10 -75.72 -1.55 25.43 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 44.49 85.59 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.279 -1.929 . . . . 0.0 108.279 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 52.4 p-10 -97.14 -3.57 40.85 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.376 -1.073 . . . . 0.0 109.76 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.73 0.42 68.32 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 107.896 -2.082 . . . . 0.0 107.896 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -126.29 170.69 11.63 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 4.7 m -124.65 97.16 5.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.608 -0.683 . . . . 0.0 111.138 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' CYS . 41.7 t0 -53.82 -172.72 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.683 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -78.32 -29.76 47.88 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.542 -1.349 . . . . 0.0 111.74 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.38 -37.59 65.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.749 -1.219 . . . . 0.0 111.131 -177.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 3.8 pt-20 -91.71 -34.39 14.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.509 -1.369 . . . . 0.0 108.909 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.6 t80 -52.56 -46.57 66.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.63 -1.294 . . . . 0.0 108.155 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.43 -21.89 2.65 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.605 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.34 -50.37 27.27 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.657 -1.277 . . . . 0.0 108.131 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.585 HG11 HD11 ' B' ' 3' ' ' LEU . 25.3 t -54.31 -36.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 82' ' ' THR . 90.0 p -71.92 -28.36 63.43 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.572 -0.705 . . . . 0.0 109.55 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 ttt -73.35 -33.29 65.02 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.56 -30.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -69.28 -38.43 78.35 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 78' ' ' SER . 7.1 p -61.13 -39.1 88.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.368 -0.832 . . . . 0.0 109.92 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.63 84.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.746 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.89 -21.72 59.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.405 -0.81 . . . . 0.0 109.505 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -89.59 -37.95 14.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.309 -0.869 . . . . 0.0 109.332 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -74.42 -35.53 63.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.142 -0.974 . . . . 0.0 109.375 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 81.1 t80 -60.42 -50.14 74.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 109.421 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -70.91 -34.64 71.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -97.83 35.18 1.74 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.125 -0.984 . . . . 0.0 109.589 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.546 ' H ' ' HD1' ' A' ' 90' ' ' HIS . 31.0 p-80 -69.1 100.47 1.26 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.17 -0.956 . . . . 0.0 108.965 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.601 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' B' ' 1' ' ' SER . 27.0 ttt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 39' ' ' GLU . 1.3 t 83.26 2.15 1.03 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -53.13 -30.36 36.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 77' ' ' VAL . 20.7 tp -75.73 -25.11 56.31 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 1' ' ' SER . 17.7 tp10 -70.93 -37.09 72.88 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -56.81 13.76 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.741 -0.6 . . . . 0.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -34.09 63.43 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.893 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.83 -56.19 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.124 -0.985 . . . . 0.0 108.574 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -30.39 60.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.703 -0.623 . . . . 0.0 109.671 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -75.9 -45.2 36.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.331 -0.856 . . . . 0.0 110.208 -179.529 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.09 -34.9 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.978 -1.076 . . . . 0.0 108.983 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.1 -52.11 15.51 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.45 -26.82 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.076 -1.015 . . . . 0.0 109.24 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.4 t80 -71.59 -52.08 19.96 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.064 -1.055 . . . . 0.0 109.769 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.66 -32.75 68.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 16' ' ' GLN . 3.8 tp-100 -67.39 -43.27 81.77 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.525 -1.36 . . . . 0.0 110.273 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 45.6 m-85 -86.77 -57.27 3.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.758 -1.214 . . . . 0.0 109.069 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -56.12 -30.1 61.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.087 -1.008 . . . . 0.0 108.927 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.89 1.41 78.01 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -70.2 -46.54 64.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.379 . . . . 0.0 108.815 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.89 170.59 15.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.48 -0.763 . . . . 0.0 109.955 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.7 -170.46 38.37 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.56 -64.04 0.91 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -1.203 . . . . 0.0 108.782 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.546 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.7 tmtp? -178.23 -4.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.5 m-70 -153.43 50.46 0.7 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 110.643 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -132.97 145.79 51.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -94.57 125.49 39.25 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.3 -0.875 . . . . 0.0 111.015 -178.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -110.24 157.41 19.48 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' B' ' 31' ' ' GLU . 43.7 mtmt -48.69 -44.06 37.65 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.91 -1.119 . . . . 0.0 109.541 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 32.9 m -51.75 -18.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.14 -0.975 . . . . 0.0 108.921 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' LEU . 60.9 mt-10 -100.96 -38.48 8.19 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -44.53 75.73 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.137 -0.977 . . . . 0.0 109.107 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.96 -36.32 69.82 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.173 -0.954 . . . . 0.0 108.579 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.96 -32.98 39.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.583 -0.698 . . . . 0.0 109.876 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 31' ' ' GLU . 28.3 tp -71.22 -34.98 71.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.082 -1.012 . . . . 0.0 108.553 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.97 -38.18 74.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -81.15 -23.52 38.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 111.509 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.21 -44.0 9.5 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.603 -1.311 . . . . 0.0 111.948 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' A' ' 1' ' ' SER . 6.8 mm-40 -106.72 -57.89 2.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.032 -1.042 . . . . 0.0 110.174 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 3' ' ' LEU . 2.6 mt -80.53 34.74 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.393 -0.817 . . . . 0.0 109.071 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -20.02 29.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 109.489 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.82 -23.03 18.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.243 -0.911 . . . . 0.0 109.822 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 4' ' ' GLU . 41.1 m-85 -106.77 -51.27 2.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.344 -0.848 . . . . 0.0 109.722 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.405 ' N ' HD22 ' B' ' 44' ' ' LEU . 4.2 mm? -90.32 134.18 34.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.971 -1.081 . . . . 0.0 108.779 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 1.9 pm0 -53.63 135.34 40.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.0 109.85 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.54 100.9 0.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.35 -0.844 . . . . 0.0 109.145 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 pt -68.01 131.75 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.076 -1.015 . . . . 0.0 109.576 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -102.79 -15.01 16.38 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' B' ' 49' ' ' GLU . 7.2 mp0 -117.47 139.97 50.22 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -75.64 -16.49 60.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -43.45 -40.85 4.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 0.0 111.337 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.07 -38.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 120.639 -1.288 . . . . 0.0 107.818 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -62.08 -24.21 33.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 106.87 -1.529 . . . . 0.0 106.87 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -78.63 -36.18 44.42 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -72.1 -52.62 15.91 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' B' ' 57' ' ' MET . 4.7 p -56.54 -41.13 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.954 -1.091 . . . . 0.0 108.432 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.553 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 17.5 mmm -63.77 -31.09 72.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.387 -0.821 . . . . 0.0 109.088 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.82 -32.37 74.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.851 . . . . 0.0 109.587 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.1 m -87.88 -36.16 17.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.345 -0.847 . . . . 0.0 110.088 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.78 -46.98 13.45 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.105 -0.997 . . . . 0.0 110.472 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 43.4 t0 -55.66 108.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.346 -1.471 . . . . 0.0 109.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -90.52 -45.81 8.72 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 16.7 p-10 -75.58 -1.47 24.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 44.47 84.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 52.7 p-10 -97.1 -3.65 40.84 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.392 -1.063 . . . . 0.0 109.7 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.29 68.95 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 107.995 -2.042 . . . . 0.0 107.995 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -126.38 170.96 11.4 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.553 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 4.4 m -124.9 96.96 5.07 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.648 -0.657 . . . . 0.0 111.252 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 68' ' ' CYS . 41.7 t0 -53.67 -172.75 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.671 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -78.13 -29.97 49.1 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.486 -1.384 . . . . 0.0 111.692 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -73.11 -37.86 66.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.807 -1.183 . . . . 0.0 111.204 -177.593 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 3.7 pt-20 -91.61 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.516 -1.365 . . . . 0.0 109.001 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -52.43 -46.61 66.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.588 -1.32 . . . . 0.0 108.165 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -44.09 91.7 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.49 -21.82 2.7 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.55 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.27 -50.28 28.37 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.586 -1.322 . . . . 0.0 108.063 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 3' ' ' LEU . 26.0 t -54.38 -36.57 34.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 97.8 p -71.91 -28.32 63.42 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.56 0.695 . . . . 0.0 109.666 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.15 -33.51 65.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 109.81 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.4 -31.08 5.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m -69.2 -38.27 78.52 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 6.9 p -61.17 -39.54 90.53 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.368 -0.833 . . . . 0.0 109.902 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.71 84.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.017 -1.052 . . . . 0.0 108.807 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.91 -21.82 59.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -89.42 -37.94 14.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.171 -0.956 . . . . 0.0 109.341 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -74.4 -35.48 63.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.118 -0.989 . . . . 0.0 109.397 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.49 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 81.6 t80 -60.67 -50.12 74.78 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.365 -0.834 . . . . 0.0 109.375 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -70.87 -34.58 71.77 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.383 -0.823 . . . . 0.0 109.919 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -97.74 34.94 1.76 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.136 -0.978 . . . . 0.0 109.609 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.564 ' HD1' ' H ' ' B' ' 90' ' ' HIS . 30.0 p-80 -69.0 100.48 1.22 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 109.092 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.589 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 1' ' ' SER . 27.9 ttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.334 0.588 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 0' ' ' MET . 0.4 OUTLIER 74.37 -151.92 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.218 -0.926 . . . . 0.0 110.634 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -46.82 -23.85 0.49 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.715 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.721 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.6 mm? -81.19 -25.72 36.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.095 -1.003 . . . . 0.0 109.422 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.3 tt0 -76.37 -22.67 54.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.923 -1.111 . . . . 0.0 108.32 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.39 -52.05 9.79 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -54.28 35.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 0.0 110.346 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.1 mtt -55.27 -37.57 67.46 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.096 -1.002 . . . . 0.0 109.776 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 4' ' ' GLU . 72.1 t -77.5 -46.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.986 -1.071 . . . . 0.0 109.158 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -32.76 71.45 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.396 -0.815 . . . . 0.0 109.454 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.66 -48.1 14.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.009 -1.057 . . . . 0.0 110.785 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mt -45.61 -30.9 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.973 -1.08 . . . . 0.0 109.426 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -75.21 -47.63 27.32 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.214 -0.929 . . . . 0.0 108.799 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.48 -26.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.121 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -71.92 -51.69 20.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.872 . . . . 0.0 110.001 -179.314 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 2.3 t-160 -74.75 -26.37 59.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.903 -1.123 . . . . 0.0 110.689 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -67.62 -40.79 84.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.809 -1.182 . . . . 0.0 110.222 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -91.69 -58.37 2.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.875 -1.141 . . . . 0.0 109.382 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.118 -0.989 . . . . 0.0 108.45 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.45 -1.96 53.57 Favored Glycine 0 N--CA 1.497 2.712 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' NH1' ' CD ' ' A' ' 21' ' ' GLU . 66.7 ttt-85 -55.35 -38.72 69.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.873 -1.369 . . . . 0.0 109.495 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 17.6 pt-20 -166.82 172.65 10.2 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.447 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' ' HZ1' ' A' ' 28' ' ' LYS . . . 69.55 -147.93 46.16 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 5.6 m-20 -47.17 171.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.63 -0.924 . . . . 0.0 109.492 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.01 -5.08 42.09 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.402 ' C ' ' OG ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -170.47 67.92 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.173 -1.579 . . . . 0.0 112.313 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 18' ' ' SER . 37.7 mtpt -141.7 148.21 38.71 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.537 -1.352 . . . . 0.0 107.506 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 73' ' ' PHE . 3.6 mp -95.19 134.09 38.32 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 122.215 1.007 . . . . 0.0 111.24 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 45.5 mttp -112.01 156.44 22.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 8.7 mtmp? -48.1 -38.57 17.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.731 -1.231 . . . . 0.0 108.607 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.7 m -54.29 -18.16 3.71 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 53.9 mt-10 -100.54 -42.6 6.5 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -64.49 -49.83 69.84 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.138 -0.977 . . . . 0.0 108.926 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -66.77 -38.91 87.5 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.916 -1.115 . . . . 0.0 109.147 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.98 -31.3 56.42 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.215 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' GLU . 20.3 tp -76.33 -28.66 56.97 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 108.945 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 32' ' ' LEU . 56.8 mt -76.03 -41.9 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -80.11 -23.41 41.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.61 -43.84 8.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.141 -0.974 . . . . 0.0 111.622 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.4 mm-40 -107.76 -65.57 1.1 Allowed 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.017 -1.052 . . . . 0.0 110.966 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.57 28.61 0.06 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 109.397 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -79.57 -17.66 53.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.978 -1.076 . . . . 0.0 110.702 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.94 -25.25 16.62 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.851 -1.156 . . . . 0.0 110.299 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -108.98 -28.36 9.15 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.254 -0.904 . . . . 0.0 109.168 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -113.04 127.26 56.17 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.7 pm0 -49.49 132.11 20.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.404 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.07 100.79 0.79 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 0.0 108.848 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 pt -63.39 138.94 22.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 109.845 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -106.7 -17.68 14.16 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -115.96 136.44 53.03 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.4 -18.55 60.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.151 -0.968 . . . . 0.0 109.711 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -45.04 -38.62 5.04 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 111.183 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.1 m -77.28 -38.36 26.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 120.701 -1.249 . . . . 0.0 107.671 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -25.03 35.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 178.83 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.35 -29.99 42.47 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HZ3' ' N ' ' A' ' 56' ' ' VAL . 1.4 ttpm? -77.75 -55.78 5.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.638 ' N ' ' HZ3' ' A' ' 55' ' ' LYS . 2.5 p -51.84 -42.82 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 53' ' ' VAL . 10.1 mtp -61.75 -31.66 71.86 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 23.4 tt0 -67.11 -27.6 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.5 m -87.45 -28.12 22.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.606 -0.684 . . . . 0.0 109.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -99.24 -41.81 7.31 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.32 -0.863 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' MET . 6.2 m-20 -55.47 108.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.475 -1.391 . . . . 0.0 110.03 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -90.03 -42.53 11.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 20.9 p-10 -79.09 -2.81 42.32 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.66 45.69 93.02 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -94.41 -5.19 46.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 109.546 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.99 4.1 58.01 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.371 -1.891 . . . . 0.0 108.371 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -125.69 175.0 7.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 69' ' ' ASP . 90.3 m -127.16 90.62 3.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' CYS . 6.8 m-20 -53.4 -169.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.82 -55.84 5.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.314 -1.491 . . . . 0.0 111.145 -178.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.34 -29.52 48.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -88.79 -42.43 11.91 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.964 -1.085 . . . . 0.0 108.677 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 2.2 t80 -59.22 -37.84 78.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.24 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.05 86.73 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.0 -18.55 1.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 80' ' ' VAL . 21.9 t80 -74.92 -55.48 5.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.86 -1.15 . . . . 0.0 109.029 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.449 ' O ' ' OG1' ' A' ' 81' ' ' THR . 55.8 t -54.67 -30.95 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.826 -1.171 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.788 ' O ' HG23 ' A' ' 82' ' ' THR . 9.0 t -67.19 -34.79 78.26 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.35 -0.844 . . . . 0.0 109.277 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.02 -28.91 60.68 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.458 -0.776 . . . . 0.0 109.511 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -87.5 -31.56 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 178.184 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.492 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.5 m -73.79 -35.74 64.96 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 78' ' ' SER . 21.0 p -68.14 -37.26 80.88 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.163 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.92 74.78 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.777 -1.202 . . . . 0.0 108.509 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.27 -22.23 51.76 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 89' ' ' GLU . 10.6 t60 -92.76 -35.46 13.43 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . 10.1 tp10 -66.13 -50.64 63.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 0.0 109.312 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.48 -34.66 75.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 108.836 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 90' ' ' HIS . 17.7 t80 -69.37 -61.32 1.84 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.561 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 85' ' ' HIS . 9.1 pt-20 -75.86 22.9 0.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.03 . . . . 0.0 109.772 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 88' ' ' PHE . 22.6 t-160 -68.19 101.66 1.21 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 108.838 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.462 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' B' ' 1' ' ' SER . 28.2 ttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.309 0.576 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' B' ' 0' ' ' MET . 0.4 OUTLIER 74.17 -151.86 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 110.634 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -46.84 -23.87 0.5 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.734 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.721 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.6 mm? -81.16 -25.88 36.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.093 -1.004 . . . . 0.0 109.34 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 24.5 tt0 -76.19 -22.86 54.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 108.302 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -77.27 -51.96 10.01 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.54 31.48 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 110.364 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 6.0 mtt -54.92 -37.57 66.56 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.157 -0.964 . . . . 0.0 109.771 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' GLU . 71.4 t -77.58 -46.06 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.942 -1.099 . . . . 0.0 109.085 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.87 71.42 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.519 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -79.65 -47.98 14.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.956 -178.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -45.82 -30.8 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.97 -1.081 . . . . 0.0 109.332 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.09 -47.65 27.7 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 108.856 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.66 -26.44 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.35 -0.844 . . . . 0.0 109.068 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -71.74 -51.92 20.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.261 -0.899 . . . . 0.0 110.019 -179.402 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 2.3 t-160 -74.53 -26.19 59.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.848 -1.158 . . . . 0.0 110.74 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.86 -40.69 83.6 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.764 -1.21 . . . . 0.0 110.165 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.904 -1.122 . . . . 0.0 109.373 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -52.58 -22.85 5.43 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.366 179.376 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.41 -1.87 53.66 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CD ' ' B' ' 21' ' ' GLU . 66.8 ttt-85 -55.41 -38.76 69.34 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.862 -1.375 . . . . 0.0 109.514 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 17.2 pt-20 -166.71 172.76 10.24 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.461 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.462 ' HA3' ' HZ1' ' B' ' 28' ' ' LYS . . . 69.44 -147.93 46.33 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 5.6 m-20 -47.04 171.84 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.582 -0.952 . . . . 0.0 109.549 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -74.97 -5.15 42.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.618 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' C ' ' OG ' ' B' ' 18' ' ' SER . 1.0 OUTLIER -170.54 67.89 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.179 -1.575 . . . . 0.0 112.269 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' N ' ' OG ' ' B' ' 18' ' ' SER . 37.7 mtpt -141.65 148.39 39.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.548 -1.345 . . . . 0.0 107.616 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' B' ' 73' ' ' PHE . 3.5 mp -95.25 134.13 38.36 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 122.281 1.038 . . . . 0.0 111.239 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 45.9 mttp -112.05 156.37 22.32 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 8.6 mtmp? -47.87 -38.86 17.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.642 -1.286 . . . . 0.0 108.61 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -18.13 3.72 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' B' ' 35' ' ' LEU . 53.4 mt-10 -100.63 -42.42 6.54 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.73 -50.02 68.54 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.389 -0.924 . . . . 0.0 108.838 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.43 -38.98 88.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.844 -1.16 . . . . 0.0 109.133 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.91 -31.42 56.67 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.312 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 31' ' ' GLU . 19.7 tp -76.32 -28.78 57.05 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.203 -0.935 . . . . 0.0 108.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 32' ' ' LEU . 57.0 mt -75.99 -41.65 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.433 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -80.22 -23.38 40.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 110.198 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -92.53 -44.02 8.85 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.096 -1.002 . . . . 0.0 111.633 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.3 mm-40 -107.52 -65.61 1.09 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -72.47 28.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.443 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.1 p -79.57 -17.6 53.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 110.697 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.89 -25.1 16.71 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.903 -1.123 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -109.0 -28.54 9.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.245 -0.909 . . . . 0.0 109.193 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.85 127.29 56.14 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.632 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 4.7 pm0 -49.52 132.05 21.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.357 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.08 100.84 0.8 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 108.798 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 pt -63.35 138.87 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.959 -1.088 . . . . 0.0 109.767 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.7 -17.77 14.14 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.8 136.42 53.07 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.44 -18.4 60.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.23 -0.919 . . . . 0.0 109.683 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -45.05 -38.61 5.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.025 -1.047 . . . . 0.0 111.303 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.1 m -77.18 -38.59 27.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.442 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -24.92 35.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -79.51 -29.81 41.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.684 ' HZ3' ' N ' ' B' ' 56' ' ' VAL . 1.4 ttpm? -77.83 -55.83 5.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.684 ' N ' ' HZ3' ' B' ' 55' ' ' LYS . 2.5 p -51.78 -42.74 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.503 ' O ' ' N ' ' B' ' 61' ' ' ASP . 10.1 mtp -61.8 -31.63 71.86 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 55' ' ' LYS . 23.3 tt0 -67.11 -27.86 67.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -87.13 -28.18 22.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.28 -41.89 7.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.36 -0.838 . . . . 0.0 110.745 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 57' ' ' MET . 6.2 m-20 -55.47 108.86 0.47 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.505 -1.372 . . . . 0.0 109.989 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -89.96 -42.82 10.96 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 21.1 p-10 -78.87 -2.52 40.17 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.33 45.87 92.37 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -94.46 -5.28 46.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.447 -1.031 . . . . 0.0 109.552 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.03 4.21 58.5 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -125.84 174.97 7.98 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' B' ' 69' ' ' ASP . 89.1 m -127.19 90.58 3.16 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.246 -0.909 . . . . 0.0 110.513 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 68' ' ' CYS . 7.0 m-20 -53.33 -169.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.92 -55.81 5.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.418 -1.426 . . . . 0.0 111.179 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.26 -29.43 46.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.895 -1.128 . . . . 0.0 110.363 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -88.88 -42.4 11.87 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 108.691 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 2.2 t80 -59.29 -37.81 78.62 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.282 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.1 86.54 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.95 -18.6 1.41 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.581 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.456 ' O ' HG13 ' B' ' 80' ' ' VAL . 22.0 t80 -74.84 -55.41 5.84 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.845 -1.159 . . . . 0.0 109.089 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.451 ' O ' ' OG1' ' B' ' 81' ' ' THR . 55.1 t -54.69 -30.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.785 ' O ' HG23 ' B' ' 82' ' ' THR . 9.5 t -67.28 -34.83 78.24 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.268 -0.895 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -74.87 -29.16 60.93 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.427 -0.796 . . . . 0.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.456 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -87.19 -31.78 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.132 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 43.8 m -73.78 -35.48 64.95 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.785 HG23 ' O ' ' B' ' 78' ' ' SER . 20.6 p -68.39 -37.21 80.17 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.183 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.15 74.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.628 -1.295 . . . . 0.0 108.473 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 -22.17 49.4 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.476 ' CD2' ' OE2' ' B' ' 89' ' ' GLU . 11.0 t60 -92.8 -35.54 13.35 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.1 tp10 -66.02 -50.52 63.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 0.0 109.423 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -61.58 -34.51 75.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.333 -0.855 . . . . 0.0 108.84 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' B' ' 90' ' ' HIS . 17.7 t80 -69.53 -61.15 1.9 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' B' ' 85' ' ' HIS . 9.2 pt-20 -75.94 22.84 0.14 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.047 -1.033 . . . . 0.0 109.812 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' B' ' 88' ' ' PHE . 22.7 t-160 -68.09 101.68 1.19 Allowed 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 0.0 108.889 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.513 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 p -108.26 -176.0 2.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.423 -0.798 . . . . 0.0 110.166 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -48.94 -31.01 6.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.776 -0.578 . . . . 0.0 109.498 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.827 HD13 HD21 ' B' ' 40' ' ' LEU . 3.7 mt -75.71 -23.05 56.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 0.0 109.319 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.65 -28.26 33.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.977 -1.077 . . . . 0.0 108.758 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.33 -44.72 67.62 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.34 -46.79 84.99 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.415 -0.803 . . . . 0.0 109.362 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.0 mtt -53.83 -43.02 69.1 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 109.026 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.26 -51.91 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.356 -0.84 . . . . 0.0 109.881 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -31.3 64.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.406 -0.808 . . . . 0.0 110.26 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 14' ' ' PHE . 2.5 mt -79.18 -45.79 19.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.818 -1.176 . . . . 0.0 110.789 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -46.98 -33.85 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.901 -1.125 . . . . 0.0 109.66 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.34 -51.96 13.61 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.072 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.39 -25.46 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 0.0 109.328 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.9 t80 -69.61 -45.26 68.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.218 -0.926 . . . . 0.0 110.234 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.87 51.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.974 -1.079 . . . . 0.0 111.087 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.77 -42.32 81.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.856 -1.152 . . . . 0.0 111.099 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' GLY . 43.6 m-85 -84.51 -59.46 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.596 -1.315 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -52.22 -20.39 2.6 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.783 -1.198 . . . . 0.0 107.963 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' TYR . . . -99.54 4.78 58.31 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -74.61 -49.09 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.734 -1.451 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 6.0 tt0 -135.02 162.98 30.92 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.227 -0.921 . . . . 0.0 110.025 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 84.0 -172.96 50.19 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.94 34.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -1.148 . . . . 0.0 108.376 178.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 22' ' ' GLY . 21.0 pttm 45.59 171.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.905 0.859 . . . . 0.0 111.703 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 64.61 0.26 1.09 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.611 -0.681 . . . . 0.0 109.434 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 21.4 mmtt -125.42 142.83 51.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 28' ' ' LYS . 1.6 tm? -89.36 120.8 31.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.354 -0.841 . . . . 0.0 109.669 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.28 148.02 26.83 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' GLU . 33.9 mtmm -46.19 -47.38 17.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.526 -1.359 . . . . 0.0 109.738 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -51.99 -12.39 0.22 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mt-10 -102.86 -37.97 7.61 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -61.58 2.22 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -58.72 -39.0 79.57 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.973 -1.079 . . . . 0.0 109.626 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -76.43 -30.63 57.47 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.206 -0.934 . . . . 0.0 110.453 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' GLU . 56.4 tp -74.66 -33.11 62.43 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.064 -1.023 . . . . 0.0 108.245 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 47' ' ' ILE . 1.5 mm -69.53 -43.73 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.639 -0.663 . . . . 0.0 109.739 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.4 t-20 -84.57 -25.38 28.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.326 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.47 -46.99 9.11 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.553 -1.342 . . . . 0.0 111.982 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.0 tt0 -104.19 -57.49 2.02 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.874 -1.141 . . . . 0.0 110.601 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.846 HD21 HD13 ' B' ' 3' ' ' LEU . 7.6 mt -76.18 32.75 0.12 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.108 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.39 -16.66 36.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.016 -1.052 . . . . 0.0 110.366 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.13 -20.48 15.97 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.947 -1.096 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.56 -47.4 3.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.495 -0.753 . . . . 0.0 109.457 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.56 139.23 35.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -47.33 128.9 12.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.3 -0.875 . . . . 0.0 109.602 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.5 mp0 -58.54 100.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.191 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' A' ' 36' ' ' ILE . 8.7 mt -65.58 124.55 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -0.965 . . . . 0.0 108.501 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -112.84 -21.82 10.98 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.24 150.55 20.79 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.13 -27.81 16.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.115 -0.99 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -51.53 -29.8 18.12 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 0.0 110.325 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.1 -37.07 39.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.756 -1.215 . . . . 0.0 108.017 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -23.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.55 -34.05 60.69 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.15 -49.35 14.01 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -40.46 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 3.0 mmt -64.09 -27.69 69.27 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -65.86 -37.07 85.21 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.3 m -83.93 -28.59 27.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.469 -0.77 . . . . 0.0 109.311 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.5 mm? -95.05 -47.25 6.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.253 -0.904 . . . . 0.0 110.929 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.2 t0 -57.26 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.964 -1.71 . . . . 0.0 109.569 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 60' ' ' LEU . 14.3 tp10 -91.27 -29.95 16.89 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.5 p-10 -82.73 -5.05 58.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.0 45.59 96.3 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.2 p-10 -103.47 -6.17 22.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.502 -0.999 . . . . 0.0 109.265 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.92 -5.21 6.49 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.416 -1.873 . . . . 0.0 108.416 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 65' ' ' ASP . 47.7 mt-10 -122.35 170.61 9.76 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.508 ' O ' ' O ' ' A' ' 69' ' ' ASP . 54.9 m -127.33 94.57 4.03 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.35 -173.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.5 p90 -69.95 -30.31 67.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.412 -1.43 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -77.5 -28.99 52.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.078 . . . . 0.0 110.538 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -91.41 -41.61 10.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.617 -1.302 . . . . 0.0 109.948 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.48 -39.23 83.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.852 -1.155 . . . . 0.0 108.382 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.47 ' SD ' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -76.0 -16.18 60.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.17 -0.956 . . . . 0.0 108.455 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.04 -24.13 61.49 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.45 -41.9 60.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.458 -0.776 . . . . 0.0 109.42 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.71 -39.88 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 118.463 -1.295 . . . . 0.0 107.563 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 21.5 p -63.58 -37.68 88.24 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.412 ' SD ' HD21 ' A' ' 60' ' ' LEU . 2.4 ttp -68.57 -25.74 65.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -83.44 -37.91 13.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.2 m -64.83 -40.8 95.76 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 35.8 p -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.169 -0.957 . . . . 0.0 110.632 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.8 -28.89 52.59 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.839 -1.163 . . . . 0.0 108.171 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 m -80.8 -10.73 59.7 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.45 -41.95 5.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.606 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -79.51 -30.91 42.1 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.777 -1.202 . . . . 0.0 110.243 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.21 -47.99 69.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.096 -1.002 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -70.18 -37.21 75.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.15 -0.969 . . . . 0.0 109.451 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -89.86 33.46 0.86 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.16 -0.963 . . . . 0.0 109.459 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -70.45 100.01 1.7 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.7 ptt? . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p -107.96 -176.1 2.96 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.381 -0.824 . . . . 0.0 110.155 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -48.96 -31.05 6.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.846 HD13 HD21 ' A' ' 40' ' ' LEU . 3.7 mt -75.56 -23.08 56.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.0 109.299 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.69 -28.29 33.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.92 -1.112 . . . . 0.0 108.781 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.35 -44.69 67.62 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.52 85.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.6 mtt -54.03 -42.76 69.52 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.088 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.47 -51.91 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.405 -0.809 . . . . 0.0 109.834 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.39 63.84 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.416 -0.802 . . . . 0.0 110.223 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.464 HD13 ' SD ' ' B' ' 74' ' ' MET . 2.4 mt -79.19 -45.89 18.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.805 -1.185 . . . . 0.0 110.781 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -46.88 -33.91 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.975 -1.078 . . . . 0.0 109.618 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -74.33 -51.99 13.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.174 -0.954 . . . . 0.0 109.969 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.31 -25.62 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 109.209 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.9 t80 -69.53 -45.37 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.235 -0.915 . . . . 0.0 110.224 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.82 51.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.974 -1.079 . . . . 0.0 111.047 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -67.91 -42.19 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.927 -1.108 . . . . 0.0 111.118 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' B' ' 31' ' ' GLU . 43.3 m-85 -84.5 -59.39 2.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.546 -1.346 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -52.31 -20.38 2.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.778 -1.201 . . . . 0.0 107.924 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 5.03 58.29 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -74.76 -49.14 22.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.686 -1.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.404 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 6.0 tt0 -134.9 162.97 30.91 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.13 -0.981 . . . . 0.0 109.995 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 83.97 -172.99 50.26 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -74.86 34.33 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -1.099 . . . . 0.0 108.37 179.09 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' B' ' 22' ' ' GLY . 21.0 pttm 45.65 171.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.886 0.851 . . . . 0.0 111.755 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 64.55 0.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.659 -0.65 . . . . 0.0 109.382 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 21.0 mmtt -125.4 142.85 51.27 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 28' ' ' LYS . 1.6 tm? -89.27 120.73 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 109.704 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.588 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -104.26 148.15 26.67 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' B' ' 31' ' ' GLU . 33.8 mtmm -46.11 -47.41 17.32 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.509 -1.37 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.7 m -51.99 -12.41 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.218 -0.926 . . . . 0.0 110.079 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 35' ' ' LEU . 15.3 mt-10 -102.81 -38.06 7.59 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -61.74 2.12 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -58.54 -39.04 79.07 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.894 -1.128 . . . . 0.0 109.666 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -76.39 -30.57 57.56 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.478 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' ' 31' ' ' GLU . 56.7 tp -74.84 -32.97 62.08 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' B' ' 47' ' ' ILE . 1.5 mm -69.61 -43.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.58 -0.7 . . . . 0.0 109.755 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 16.6 t-20 -84.46 -25.35 28.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 111.338 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.5 -47.0 9.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.551 -1.343 . . . . 0.0 111.989 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' B' ' 41' ' ' SER . 39.7 tt0 -104.19 -57.5 2.02 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.875 -1.141 . . . . 0.0 110.602 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 3' ' ' LEU . 7.7 mt -76.21 32.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.162 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.448 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.43 -16.67 36.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.943 -1.098 . . . . 0.0 110.32 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -100.08 -20.52 15.98 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.875 -1.141 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.61 -47.39 3.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.399 -0.813 . . . . 0.0 109.425 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -99.44 139.2 35.44 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -47.32 128.93 12.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.5 mp0 -58.44 100.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.555 -0.715 . . . . 0.0 110.225 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' B' ' 36' ' ' ILE . 8.9 mt -65.57 124.53 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 108.518 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -112.8 -21.88 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.25 150.6 20.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -93.12 -27.88 16.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.139 -0.975 . . . . 0.0 109.511 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -51.65 -29.6 18.45 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.392 -0.817 . . . . 0.0 110.382 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.23 -37.08 38.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.78 -1.2 . . . . 0.0 108.026 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -23.86 30.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.64 -34.03 60.51 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.02 -49.39 14.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -40.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' ASP . 3.0 mmt -64.19 -27.62 69.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.94 -37.04 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.0 108.635 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.2 m -83.9 -28.64 27.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.577 -0.702 . . . . 0.0 109.303 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 62' ' ' GLU . 4.5 mm? -94.93 -47.44 6.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 110.971 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.1 t0 -57.28 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.99 -1.694 . . . . 0.0 109.575 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 60' ' ' LEU . 14.4 tp10 -91.17 -30.1 16.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.7 p-10 -82.64 -5.08 58.63 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.04 45.56 96.35 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 67' ' ' GLU . 38.3 p-10 -103.47 -6.1 22.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.437 -1.037 . . . . 0.0 109.346 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.405 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.74 -5.11 6.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' B' ' 65' ' ' ASP . 47.4 mt-10 -122.31 170.45 9.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 54.9 m -127.29 94.66 4.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.089 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.3 OUTLIER -50.28 -173.31 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.73 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.5 p90 -69.8 -30.44 67.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.368 -1.457 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.39 -29.06 52.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.983 -1.073 . . . . 0.0 110.574 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.38 -41.78 10.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.631 -1.293 . . . . 0.0 109.976 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.45 -39.18 82.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.807 -1.183 . . . . 0.0 108.365 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.464 ' SD ' HD13 ' B' ' 10' ' ' LEU . 6.9 ttt -76.01 -16.08 60.03 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.058 -1.026 . . . . 0.0 108.421 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.18 -24.01 61.36 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -74.62 -42.14 59.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.488 -0.757 . . . . 0.0 109.329 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.47 -39.75 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 118.451 -1.3 . . . . 0.0 107.669 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 20.8 p -63.63 -37.77 88.58 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.4 ' SD ' HD21 ' B' ' 60' ' ' LEU . 2.4 ttp -68.61 -25.7 64.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.42 -37.8 13.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 m -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 35.5 p -59.85 -45.16 93.3 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.278 -0.889 . . . . 0.0 110.635 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.83 52.0 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 120.837 -1.164 . . . . 0.0 108.149 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.84 -10.79 59.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.39 -41.84 5.4 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.237 -0.915 . . . . 0.0 110.717 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -79.58 -30.89 41.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.819 -1.176 . . . . 0.0 110.177 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.29 -47.98 69.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.039 -1.038 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -70.25 -37.2 74.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -89.73 33.43 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.42 100.04 1.69 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.126 -0.984 . . . . 0.0 109.495 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.346 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m -107.3 75.38 1.02 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.422 -0.799 . . . . 0.0 109.883 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -49.66 -31.2 10.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.315 -0.866 . . . . 0.0 108.909 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.25 -18.36 63.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.419 -0.8 . . . . 0.0 109.733 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -74.18 -28.3 61.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.197 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -69.27 -45.94 68.45 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.31 20.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.729 -0.607 . . . . 0.0 111.087 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -52.38 -38.59 59.25 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.173 -0.954 . . . . 0.0 110.511 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -77.05 -41.48 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.778 -1.201 . . . . 0.0 109.465 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.91 77.99 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.399 -0.813 . . . . 0.0 109.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 10.0 mp -79.84 -47.62 14.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.919 -1.113 . . . . 0.0 110.77 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mt -45.29 -32.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.745 -1.222 . . . . 0.0 109.982 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.84 -52.13 9.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.0 109.7 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.73 -25.7 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -64.38 -58.43 6.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.45 -0.782 . . . . 0.0 110.59 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.61 -26.36 37.84 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.74 -1.225 . . . . 0.0 111.262 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -59.51 -41.69 90.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.439 -1.413 . . . . 0.0 109.049 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.91 -42.76 32.11 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 108.851 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -59.31 -40.03 84.96 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.01 6.19 72.34 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -67.73 -50.97 54.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.77 -1.43 . . . . 0.0 108.58 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -156.08 161.21 40.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.323 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.73 -167.94 32.85 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.0 128.02 34.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.486 -1.008 . . . . 0.0 110.219 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 44.9 pttt -74.82 170.73 15.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.513 -0.742 . . . . 0.0 109.863 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t60 82.9 -7.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.962 -0.461 . . . . 0.0 110.396 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -135.05 146.75 49.26 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.268 -0.895 . . . . 0.0 108.623 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.9 mp -93.81 134.91 35.66 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.981 0.896 . . . . 0.0 108.748 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' GLU . 31.1 mttm -109.57 158.91 17.55 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mtmm -45.95 -47.55 16.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.003 -1.061 . . . . 0.0 109.367 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -51.41 -16.49 0.57 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.186 -0.946 . . . . 0.0 108.66 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 33.2 mt-10 -99.77 -44.66 6.01 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -61.94 -54.02 47.68 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.225 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -66.0 -35.71 81.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.752 -1.217 . . . . 0.0 109.499 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.84 -32.16 46.03 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.983 -1.073 . . . . 0.0 109.899 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.6 tp -71.41 -34.99 70.83 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HD12 ' A' ' 47' ' ' ILE . 61.7 mt -67.36 -39.92 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.34 -22.78 38.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.538 -0.726 . . . . 0.0 111.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.77 -43.99 7.27 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.875 -1.141 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 41' ' ' SER . 17.3 mp0 -105.53 -63.98 1.19 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.85 -1.157 . . . . 0.0 110.013 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.95 33.79 0.08 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -88.49 -19.57 26.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.88 -1.137 . . . . 0.0 110.708 -179.435 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -91.87 -26.36 18.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.929 -1.107 . . . . 0.0 109.308 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -103.02 -50.27 3.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.438 -0.789 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.79 136.93 32.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.962 -1.086 . . . . 0.0 108.522 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 47' ' ' ILE . 23.2 tt0 -49.36 134.93 18.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.0 109.758 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.65 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.0 pm0 -56.0 82.11 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.608 -0.682 . . . . 0.0 109.834 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.542 HD12 HD13 ' A' ' 36' ' ' ILE . 9.1 mt -55.89 125.0 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.342 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -113.38 -18.38 12.04 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -100.15 152.94 19.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 108.941 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.3 -26.52 17.28 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.27 -0.894 . . . . 0.0 110.227 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.45 -34.81 5.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.935 . . . . 0.0 111.094 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' VAL . 27.7 m -74.5 -38.34 45.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.738 -1.226 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -66.49 -22.99 30.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.398 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.76 35.58 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -34.03 23.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.473 -0.767 . . . . 0.0 108.988 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.8 OUTLIER -62.41 -42.91 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.047 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.5 mtt -60.0 -35.24 74.62 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -62.06 -30.27 70.87 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.04 -1.038 . . . . 0.0 108.732 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.8 m -88.54 -29.23 20.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.679 -0.638 . . . . 0.0 109.806 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -101.08 -42.45 6.37 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.0 t0 -55.87 104.93 0.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.334 -1.479 . . . . 0.0 110.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' B' ' 62' ' ' GLU . 57.4 tt0 -90.85 -45.04 9.03 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 7.4 p30 -77.9 -2.98 39.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.26 44.02 97.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -96.17 -4.79 41.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.47 -1.017 . . . . 0.0 109.842 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.85 7.71 50.14 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.339 -1.904 . . . . 0.0 108.339 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -129.03 173.11 10.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -127.44 91.54 3.33 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.396 -0.815 . . . . 0.0 110.84 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.499 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 41.6 t0 -54.11 -167.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.703 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -77.84 -30.52 51.07 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.461 -1.399 . . . . 0.0 111.334 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 2.7 pp0? -75.58 -33.27 60.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.832 -1.168 . . . . 0.0 110.524 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 50.2 tt0 -87.23 -38.03 16.7 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.841 -1.162 . . . . 0.0 108.212 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.5 t80 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 109.052 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -77.11 -17.04 58.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.55 -18.97 50.61 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 176.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 80' ' ' VAL . 20.6 t80 -74.73 -54.28 7.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.97 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 66.9 t -52.57 -33.83 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.111 -0.993 . . . . 0.0 108.525 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -66.93 -35.17 79.39 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -72.42 -29.3 63.58 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.813 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -88.43 -31.62 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.195 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 48.7 m -74.73 -36.1 62.65 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' SER . 16.7 p -66.25 -37.14 84.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.024 -1.048 . . . . 0.0 110.21 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.92 76.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.768 -1.207 . . . . 0.0 108.555 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.75 -44.91 80.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 108.94 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.66 -28.04 63.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.352 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 90' ' ' HIS . 28.0 tp10 -68.27 -50.32 54.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 108.992 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.55 -45.93 77.19 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -74.48 -32.62 62.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -0.833 . . . . 0.0 109.715 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.41 -1.09 56.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.277 -0.889 . . . . 0.0 109.202 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' GLU . 15.6 t-80 -67.12 101.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 0.0 109.496 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.462 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.48 ' O ' ' SD ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m -107.47 75.38 1.01 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.786 . . . . 0.0 109.863 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -49.77 -30.92 10.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.314 -0.866 . . . . 0.0 108.899 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.34 -18.59 63.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -74.12 -28.28 61.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.876 -1.14 . . . . 0.0 108.183 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.24 -45.81 68.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 -55.3 20.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.816 -0.552 . . . . 0.0 111.072 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.425 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.6 mtt -52.35 -38.58 59.1 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.194 -0.941 . . . . 0.0 110.565 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.2 -41.31 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.203 . . . . 0.0 109.418 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.85 78.18 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.385 -0.822 . . . . 0.0 109.929 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 10.0 mp -79.9 -47.49 14.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.895 -1.128 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mt -45.26 -32.77 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.629 -1.294 . . . . 0.0 109.972 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.69 -52.4 9.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.047 -1.033 . . . . 0.0 109.731 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.81 -25.56 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.1 t80 -64.33 -58.39 6.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.494 -0.754 . . . . 0.0 110.627 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.71 -26.5 37.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.808 -1.182 . . . . 0.0 111.169 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -59.35 -41.71 89.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.398 -1.439 . . . . 0.0 109.015 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HH ' ' HB2' ' B' ' 38' ' ' ASN . 12.8 m-85 -77.88 -42.62 32.73 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 108.861 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -59.53 -39.99 85.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.92 6.13 72.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.84 -50.79 54.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.935 -1.333 . . . . 0.0 108.631 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -156.04 161.03 40.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.501 -0.749 . . . . 0.0 110.367 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.82 -167.91 33.27 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.08 128.0 34.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.453 -1.028 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 46.5 pttt -74.74 170.69 15.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.947 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t60 82.87 -6.87 1.25 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.961 -0.462 . . . . 0.0 110.479 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -135.16 146.67 48.98 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.1 mp -93.61 134.91 35.41 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.968 0.89 . . . . 0.0 108.899 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' GLU . 32.8 mttm -109.62 158.73 17.76 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' B' ' 31' ' ' GLU . 27.6 mtmm -45.83 -47.37 15.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.951 -1.093 . . . . 0.0 109.389 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -51.43 -16.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.134 -0.978 . . . . 0.0 108.646 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 28' ' ' LYS . 33.6 mt-10 -99.73 -44.66 6.02 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -61.84 -54.02 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.083 -1.01 . . . . 0.0 109.179 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -66.12 -35.74 81.31 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.795 -1.19 . . . . 0.0 109.427 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.76 -32.15 46.48 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.032 -1.042 . . . . 0.0 109.928 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 12.4 tp -71.4 -35.03 70.88 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD12 ' B' ' 47' ' ' ILE . 60.7 mt -67.42 -39.88 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.39 -22.6 38.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.664 -0.648 . . . . 0.0 111.327 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.421 ' HB2' ' HH ' ' B' ' 17' ' ' TYR . 4.4 m-20 -96.8 -43.94 7.29 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.882 -1.136 . . . . 0.0 112.198 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' B' ' 41' ' ' SER . 17.5 mp0 -105.66 -63.86 1.2 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.852 -1.155 . . . . 0.0 110.032 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -74.22 34.06 0.09 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 108.626 -179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -88.63 -19.7 25.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.853 -1.154 . . . . 0.0 110.568 -179.574 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -91.85 -26.1 18.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.14 . . . . 0.0 109.376 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -103.05 -50.43 3.5 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.418 -0.801 . . . . 0.0 109.606 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 44' ' ' LEU . 16.8 tp -88.83 136.99 32.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.939 -1.1 . . . . 0.0 108.592 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 47' ' ' ILE . 23.7 tt0 -49.4 134.92 18.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.768 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.0 pm0 -56.02 82.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.547 HD12 HD13 ' B' ' 36' ' ' ILE . 9.3 mt -55.79 125.17 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.066 -1.021 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -113.67 -18.16 11.95 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -100.05 152.75 19.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.435 -0.791 . . . . 0.0 108.93 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.46 -26.45 17.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.195 -0.941 . . . . 0.0 110.183 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -46.44 -34.98 5.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.205 -0.934 . . . . 0.0 111.03 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.46 HG23 ' N ' ' B' ' 53' ' ' VAL . 24.9 m -74.42 -38.29 46.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.716 -1.24 . . . . 0.0 108.026 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -66.47 -23.05 30.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.296 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.63 35.68 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -33.95 22.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 108.947 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.8 OUTLIER -62.32 -43.19 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 11.1 mtt -59.79 -35.13 74.03 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -62.15 -30.25 70.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 108.669 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 41.6 m -88.63 -29.06 20.23 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.567 -0.708 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -101.07 -42.31 6.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.286 -0.884 . . . . 0.0 110.69 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.0 t0 -55.94 104.99 0.16 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.411 -1.431 . . . . 0.0 110.145 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' A' ' 62' ' ' GLU . 58.4 tt0 -91.02 -44.82 9.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 7.7 p30 -78.04 -2.82 39.06 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.99 44.14 97.49 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -96.14 -4.89 41.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.338 -1.095 . . . . 0.0 109.792 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.73 8.06 50.92 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.37 173.07 10.88 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.485 ' O ' ' O ' ' B' ' 69' ' ' ASP . 98.5 m -127.54 91.64 3.34 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.48 -0.763 . . . . 0.0 110.783 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.9 t0 -54.13 -167.28 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -77.8 -30.66 51.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.518 -1.364 . . . . 0.0 111.321 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 2.7 pp0? -75.47 -33.31 60.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.741 -1.225 . . . . 0.0 110.664 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 50.5 tt0 -87.03 -38.07 16.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.769 -1.207 . . . . 0.0 108.336 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.531 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -58.14 -37.98 75.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.52 -0.737 . . . . 0.0 109.069 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -77.02 -17.19 58.99 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.5 -19.05 50.6 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' O ' HG13 ' B' ' 80' ' ' VAL . 20.6 t80 -74.66 -54.47 7.35 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.715 -0.794 . . . . 0.0 108.99 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' B' ' 81' ' ' THR . 73.9 t -52.28 -33.79 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 108.664 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 82' ' ' THR . 0.8 OUTLIER -66.9 -35.2 79.46 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -72.18 -29.53 64.08 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.406 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -88.32 -31.59 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.337 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 44.8 m -74.81 -36.12 62.46 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.755 HG23 ' O ' ' B' ' 78' ' ' SER . 16.6 p -66.04 -37.4 85.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.087 -1.008 . . . . 0.0 110.285 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.65 75.59 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.918 -1.114 . . . . 0.0 108.704 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.85 -44.82 80.01 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.63 -28.03 63.5 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.305 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' B' ' 90' ' ' HIS . 27.9 tp10 -68.34 -50.24 54.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.0 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.63 -45.88 77.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 108.832 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.6 -32.6 62.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.719 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.47 -1.06 56.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 0.0 109.21 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' B' ' 86' ' ' GLU . 15.6 t-80 -67.26 101.24 0.89 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.054 -1.029 . . . . 0.0 109.437 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.454 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 31.5 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p -88.43 80.55 7.41 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.444 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -50.33 -33.07 18.91 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -71.81 -21.27 61.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.395 -0.815 . . . . 0.0 111.235 -178.593 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -70.66 -33.99 71.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.579 -1.326 . . . . 0.0 109.001 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.14 -45.5 66.68 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.657 -0.652 . . . . 0.0 109.47 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.91 -55.95 24.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.178 -0.951 . . . . 0.0 110.749 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -57.79 -37.47 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.913 -1.117 . . . . 0.0 109.002 -179.575 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.15 -54.31 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.504 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.44 68.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' PHE . 1.4 mt -79.58 -49.22 12.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.225 -0.922 . . . . 0.0 110.129 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.6 -36.74 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.128 -0.983 . . . . 0.0 109.136 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.033 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -72.86 -26.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.136 -0.977 . . . . 0.0 109.622 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -70.64 -44.11 67.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.8 OUTLIER -78.43 -40.56 35.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.064 -1.022 . . . . 0.0 110.664 -178.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.06 -41.91 89.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.789 -1.194 . . . . 0.0 110.106 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.2 -56.44 3.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 109.616 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 2.2 m -58.74 -26.79 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.953 -1.092 . . . . 0.0 108.78 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -94.08 0.08 66.32 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -62.74 -46.3 88.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.051 -1.264 . . . . 0.0 108.665 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -161.0 153.36 20.37 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 118.06 -170.68 13.73 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -47.42 -69.97 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.47 -9.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.291 -0.88 . . . . 0.0 109.017 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.05 61.69 0.07 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.476 -1.39 . . . . 0.0 110.667 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -136.8 147.31 46.53 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -99.02 128.56 45.18 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.965 0.888 . . . . 0.0 110.709 -178.836 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -110.97 161.02 16.27 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -46.7 -42.28 16.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.105 -0.997 . . . . 0.0 109.118 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -18.93 3.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 56.0 mt-10 -99.72 -35.69 9.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.287 -0.883 . . . . 0.0 108.702 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -55.76 11.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.498 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -68.13 -33.67 74.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.964 -1.085 . . . . 0.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.44 -32.88 54.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.992 -1.068 . . . . 0.0 109.933 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.0 tp -70.02 -35.8 74.6 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 47' ' ' ILE . 72.4 mt -69.03 -40.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.619 -0.676 . . . . 0.0 110.324 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 69.2 m-80 -82.3 -24.63 34.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.022 -1.049 . . . . 0.0 111.588 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.25 -45.38 8.66 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.665 -1.272 . . . . 0.0 112.582 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' A' ' 41' ' ' SER . 30.5 tt0 -110.44 -60.06 1.86 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.857 -1.152 . . . . 0.0 110.25 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.4 mm? -71.74 28.78 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.92 -1.113 . . . . 0.0 108.432 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.53 -17.2 32.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 110.14 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.3 p80 -89.37 -27.13 20.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.832 -1.168 . . . . 0.0 109.589 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.2 m-85 -106.7 -47.46 3.74 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 80' ' ' VAL . 8.1 tp -86.9 135.23 33.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.951 -1.093 . . . . 0.0 108.788 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 47' ' ' ILE . 83.7 mt-10 -50.2 135.34 21.37 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.618 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 10.0 mp0 -54.63 82.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.603 -0.686 . . . . 0.0 109.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.4 mt -59.19 125.58 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.067 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -115.61 -15.51 11.4 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.24 149.78 25.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.544 -0.723 . . . . 0.0 109.124 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' VAL . 18.3 mt-30 -86.57 -26.07 24.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.188 -0.945 . . . . 0.0 109.406 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -42.29 -39.13 2.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.444 -0.785 . . . . 0.0 110.835 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 p -75.11 -38.94 43.13 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.56 -23.82 32.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.55 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' GLN . 84.5 m-20 -77.63 -35.29 52.77 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -82.27 -43.88 16.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 109.161 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -37.14 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 120.477 -1.39 . . . . 0.0 107.446 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.1 tpp -63.62 -25.97 68.46 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -75.11 -30.72 60.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.124 -0.985 . . . . 0.0 109.445 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -87.86 -30.14 20.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 72' ' ' GLU . 45.6 tp -88.75 -53.02 4.82 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.396 -0.815 . . . . 0.0 110.945 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 60.8 t0 -56.34 105.68 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.681 -1.262 . . . . 0.0 109.656 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -90.36 -43.97 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -75.93 -4.95 43.83 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.39 45.44 95.93 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.259 -1.936 . . . . 0.0 108.259 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 45.4 p30 -97.91 -6.31 32.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.387 -1.066 . . . . 0.0 109.965 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.32 8.88 84.14 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -138.35 172.59 12.68 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 69' ' ' ASP . 15.1 m -122.34 93.33 3.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.46 -0.775 . . . . 0.0 110.595 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -52.15 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -74.68 -29.67 61.3 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.279 -1.513 . . . . 0.0 110.747 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -66.23 -47.81 72.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.116 -0.99 . . . . 0.0 111.55 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.4 pt-20 -88.02 -30.92 19.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.423 -1.423 . . . . 0.0 109.102 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.6 t80 -52.92 -48.37 67.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.548 -1.345 . . . . 0.0 107.926 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.53 68.84 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.4 -18.34 1.59 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.999 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG11 ' A' ' 80' ' ' VAL . 84.8 t80 -67.73 -56.19 10.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 62.1 t -53.95 -29.63 18.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 CA-C-O 122.042 0.925 . . . . 0.0 108.768 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 82' ' ' THR . 7.0 t -69.24 -34.45 74.82 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.372 -0.83 . . . . 0.0 109.856 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.2 mtp -77.54 -29.49 52.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.49 -0.756 . . . . 0.0 110.0 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.2 m -87.55 -32.51 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 99.3 m -74.67 -35.86 62.81 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.653 HG21 ' CD1' ' B' ' 70' ' ' PHE . 7.8 p -68.69 -39.29 80.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.816 -1.178 . . . . 0.0 110.086 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.72 77.97 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.838 -1.164 . . . . 0.0 108.29 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.25 -17.06 64.19 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.936 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -105.45 -35.5 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.415 -0.803 . . . . 0.0 109.708 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' THR . 18.8 tt0 -69.52 -35.36 75.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.005 -1.059 . . . . 0.0 109.152 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -73.03 -42.52 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.313 -0.867 . . . . 0.0 109.175 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.6 -7.96 43.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.215 -0.928 . . . . 0.0 109.014 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -99.86 -9.21 23.15 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.285 -0.885 . . . . 0.0 110.289 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -62.43 101.47 0.24 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.84 -1.162 . . . . 0.0 109.181 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.104 -0.95 . . . . 0.0 109.511 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p -88.29 80.93 7.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.136 -0.978 . . . . 0.0 109.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -50.7 -32.99 21.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.679 0.752 . . . . 0.0 109.118 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -71.66 -21.42 61.81 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 111.221 -178.647 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -70.68 -33.86 71.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.377 -1.452 . . . . 0.0 108.984 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.19 -45.43 66.66 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.584 -0.698 . . . . 0.0 109.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.19 -55.76 27.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 110.811 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -57.62 -37.52 73.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.984 -1.072 . . . . 0.0 108.979 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -68.14 -54.5 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.009 -1.057 . . . . 0.0 109.404 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.66 68.42 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.597 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.46 -49.3 12.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.077 -1.014 . . . . 0.0 110.198 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mm -45.6 -36.73 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.039 -1.038 . . . . 0.0 109.142 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.21 -50.96 42.53 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.227 -0.92 . . . . 0.0 109.087 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.88 -26.48 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -70.49 -43.98 68.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.995 -1.066 . . . . 0.0 109.642 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' B' ' 19' ' ' GLY . 0.2 OUTLIER -78.57 -40.39 34.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.942 -1.099 . . . . 0.0 110.69 -178.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.21 -41.81 89.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.787 -1.196 . . . . 0.0 110.163 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.42 -56.33 3.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.892 -1.13 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 2.6 m -58.51 -27.05 64.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.883 -1.136 . . . . 0.0 108.667 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -94.15 0.23 66.28 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -63.1 -46.16 88.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.942 -1.329 . . . . 0.0 108.567 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 0.0 OUTLIER -160.66 153.54 21.24 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 117.92 -170.82 13.75 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -47.31 -69.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 0.0 109.406 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.433 ' H ' ' H ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -169.76 -9.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 108.951 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.433 ' H ' ' H ' ' B' ' 24' ' ' LYS . 2.7 t60 -168.28 61.84 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.437 -1.414 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -137.01 147.31 46.17 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -99.07 128.62 45.24 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.259 -0.901 . . . . 0.0 110.675 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -110.96 161.21 16.08 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.05 -42.02 17.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.08 -1.012 . . . . 0.0 109.088 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -18.78 4.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.046 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 56.0 mt-10 -99.83 -35.52 9.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.226 -0.921 . . . . 0.0 108.678 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -55.64 11.68 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.352 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.18 -33.8 75.12 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.977 -1.077 . . . . 0.0 109.752 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.47 -32.9 54.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.019 -1.051 . . . . 0.0 109.811 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 18.7 tp -69.9 -35.88 74.95 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.444 HD13 HD12 ' B' ' 47' ' ' ILE . 73.9 mt -69.21 -40.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.605 -0.684 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 69.2 m-80 -82.43 -24.62 34.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.007 -1.058 . . . . 0.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -91.15 -45.46 8.65 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.709 -1.244 . . . . 0.0 112.502 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' B' ' 41' ' ' SER . 32.0 tt0 -110.24 -60.17 1.84 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.835 -1.166 . . . . 0.0 110.266 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' B' ' 40' ' ' LEU . 1.2 mm? -71.59 28.83 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.953 -1.092 . . . . 0.0 108.382 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -87.78 -17.0 32.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.065 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.3 p80 -89.57 -27.09 20.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.944 -1.097 . . . . 0.0 109.605 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.426 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.2 m-85 -106.92 -47.11 3.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 44' ' ' LEU . 7.9 tp -87.15 135.16 33.4 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.956 -1.09 . . . . 0.0 108.803 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 47' ' ' ILE . 83.8 mt-10 -50.26 135.43 21.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.323 -0.861 . . . . 0.0 110.132 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 9.9 mp0 -54.64 82.72 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.583 -0.698 . . . . 0.0 109.85 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 45' ' ' GLU . 7.8 mt -59.26 125.53 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 0.0 108.962 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -115.71 -15.35 11.36 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -105.15 149.87 25.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.3 mt-30 -86.72 -26.24 24.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.159 -0.963 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 50' ' ' GLN . 58.6 mm-40 -41.95 -39.4 1.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.531 -0.73 . . . . 0.0 110.86 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.12 -38.59 42.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.69 -23.87 31.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.615 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' B' ' 50' ' ' GLN . 84.2 m-20 -77.46 -35.44 53.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -81.97 -44.29 16.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.516 -0.74 . . . . 0.0 109.245 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -37.35 59.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.508 -1.37 . . . . 0.0 107.426 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.45 -26.05 68.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.294 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -75.0 -30.69 61.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.141 -0.975 . . . . 0.0 109.508 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -88.12 -30.05 20.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.282 -0.886 . . . . 0.0 109.342 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.404 HD11 ' O ' ' B' ' 72' ' ' GLU . 46.4 tp -88.83 -53.31 4.67 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 60.7 t0 -56.06 105.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.682 -1.261 . . . . 0.0 109.584 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -90.42 -43.77 10.07 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 0.4 OUTLIER -76.16 -4.82 43.75 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.46 95.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.9 p30 -97.95 -6.3 32.45 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.328 -1.101 . . . . 0.0 109.996 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 8.38 83.51 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -137.97 172.82 12.37 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 13.9 m -122.28 93.34 3.95 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.319 -0.863 . . . . 0.0 110.598 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.8 OUTLIER -52.16 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.653 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.81 -29.62 61.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.315 -1.491 . . . . 0.0 110.785 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -66.12 -47.84 72.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 111.605 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 4.4 pt-20 -87.96 -31.07 19.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.337 -1.477 . . . . 0.0 109.094 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.7 t80 -52.82 -48.41 66.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.512 -1.367 . . . . 0.0 107.905 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.57 68.83 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.34 -18.26 1.52 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.997 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' B' ' 80' ' ' VAL . 84.9 t80 -67.7 -56.03 10.87 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' B' ' 81' ' ' THR . 58.0 t -54.19 -29.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.989 0.899 . . . . 0.0 108.7 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.615 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -69.48 -34.09 73.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.374 -0.829 . . . . 0.0 109.917 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtp -77.59 -29.55 52.05 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.459 -0.775 . . . . 0.0 110.034 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' B' ' 76' ' ' PHE . 1.2 m -87.61 -32.39 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.5 m -74.63 -35.51 62.89 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.648 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.6 p -69.04 -39.25 79.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.868 -1.145 . . . . 0.0 110.086 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.7 77.82 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 55.2 m -65.45 -17.08 64.27 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.864 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -105.17 -35.49 7.57 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 109.819 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 82' ' ' THR . 19.7 tt0 -69.39 -35.64 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.049 -1.032 . . . . 0.0 109.156 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.96 -42.47 63.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.394 -0.816 . . . . 0.0 109.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.61 -8.0 43.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.079 -1.013 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -99.93 -9.22 23.04 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -62.37 101.38 0.23 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.775 -1.203 . . . . 0.0 109.19 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.482 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -83.83 97.11 9.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.137 -0.977 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -63.39 -34.54 77.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.745 -0.597 . . . . 0.0 110.346 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.89 -22.68 64.17 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.087 -1.008 . . . . 0.0 111.054 -178.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -73.31 -35.28 66.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.755 -1.216 . . . . 0.0 109.988 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -67.47 -45.5 75.75 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.083 -1.011 . . . . 0.0 109.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -64.45 -48.45 75.23 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.278 -0.889 . . . . 0.0 109.45 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.455 ' HG3' HG23 ' B' ' 81' ' ' THR . 53.5 ttm -59.77 -35.89 75.55 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.461 -0.774 . . . . 0.0 110.243 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.21 -40.91 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.873 -1.142 . . . . 0.0 108.773 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.59 74.16 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.515 -0.741 . . . . 0.0 109.812 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -78.63 -46.7 18.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.874 -1.141 . . . . 0.0 109.936 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -45.74 -30.45 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.09 -1.006 . . . . 0.0 109.093 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.19 -50.86 17.43 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.322 -0.861 . . . . 0.0 108.796 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.23 -26.94 21.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m-85 -71.23 -49.18 46.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.953 -1.092 . . . . 0.0 110.002 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -76.31 -32.23 58.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.92 -1.112 . . . . 0.0 110.353 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.75 -41.81 82.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.025 -1.047 . . . . 0.0 110.551 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -86.12 -58.09 2.77 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.836 -1.165 . . . . 0.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.62 -27.04 4.12 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.911 -1.118 . . . . 0.0 108.976 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.23 3.33 54.79 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -58.65 -42.74 89.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.575 -1.544 . . . . 0.0 108.981 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.09 171.1 9.83 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.77 -125.04 7.11 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -80.44 -167.59 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -1.164 . . . . 0.0 109.63 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -88.68 -14.88 36.26 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 0.0 110.529 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.8 66.51 0.12 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.492 -1.38 . . . . 0.0 111.103 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -143.48 149.89 38.18 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -95.89 123.68 39.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.197 -0.939 . . . . 0.0 110.641 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 156.84 20.85 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 16.6 mttm -47.78 -45.56 29.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.708 -1.245 . . . . 0.0 109.725 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -50.71 -17.98 0.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.008 . . . . 0.0 109.108 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 35' ' ' LEU . 78.3 mt-10 -101.53 -39.27 7.59 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -49.61 68.6 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 109.145 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HA ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.69 -37.03 79.26 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.044 -1.035 . . . . 0.0 108.612 179.24 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.54 -30.93 53.02 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' GLU . 21.8 tp -70.37 -37.58 74.58 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -69.05 -39.39 79.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 109.772 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.02 -22.78 44.95 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 110.938 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -95.35 -20.14 19.37 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.794 -1.191 . . . . 0.0 112.789 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -129.99 -53.26 1.13 Allowed 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.75 -1.219 . . . . 0.0 110.379 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.6 mm? -85.89 31.44 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.012 -1.055 . . . . 0.0 108.657 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -83.18 -19.63 36.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.997 -1.064 . . . . 0.0 108.697 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.69 -21.97 28.08 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.2 -49.6 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.08 131.06 47.17 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.233 -0.917 . . . . 0.0 109.387 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.07 145.65 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 109.482 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 53.3 mp0 -62.57 107.09 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.267 -0.896 . . . . 0.0 109.572 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 33' ' ' LYS . 4.0 pt -67.85 126.16 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.597 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.45 -13.44 18.7 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -119.2 120.55 37.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' VAL . 12.0 pt20 -59.54 -19.81 51.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLN . 73.3 mt-10 -41.33 -42.03 2.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.996 -1.065 . . . . 0.0 111.445 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.62 -35.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.759 -1.213 . . . . 0.0 108.024 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.26 -23.83 32.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -78.42 -35.93 46.35 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -74.66 -53.56 9.09 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.241 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.26 -38.61 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 66' ' ' GLY . 33.9 ttm -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.3 tm-20 -74.29 -37.61 63.62 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -76.91 -31.66 56.86 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.642 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 4.5 mm? -90.57 -45.64 8.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.158 -0.964 . . . . 0.0 110.469 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 62.8 t0 -56.13 98.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.509 -1.369 . . . . 0.0 109.533 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -90.44 -37.5 13.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 p-10 -80.55 -4.85 55.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.76 45.67 87.5 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' GLU . 23.2 p30 -99.61 -5.87 28.3 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.496 -1.003 . . . . 0.0 109.912 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.502 ' O ' ' SD ' ' A' ' 57' ' ' MET . . . 69.19 0.57 22.27 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.053 -2.019 . . . . 0.0 108.053 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 65' ' ' ASP . 98.7 mt-10 -128.26 173.56 10.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 69' ' ' ASP . 2.6 m -127.05 94.24 3.97 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.222 -0.924 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.0 p-10 -50.73 -171.63 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.0 -30.49 44.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.607 -1.308 . . . . 0.0 111.461 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -75.65 -36.5 60.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.939 -1.101 . . . . 0.0 110.049 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 11.9 tt0 -85.57 -37.32 19.72 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.999 -1.063 . . . . 0.0 108.351 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 1.2 t80 -52.83 -46.74 67.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 108.703 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.408 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.19 -43.64 78.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.49 -19.89 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.485 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -73.65 -55.26 6.51 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.828 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.95 -28.6 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 82' ' ' THR . 7.2 t -67.1 -34.54 77.86 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.8 -34.2 60.17 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.811 -0.556 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -31.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 55.1 m -73.24 -35.12 66.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -75.15 -36.44 61.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.999 -1.063 . . . . 0.0 111.172 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.85 91.69 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.447 -1.408 . . . . 0.0 108.525 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 81' ' ' THR . 23.3 p -66.32 -10.51 43.48 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.532 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' CE1' ' ND1' ' B' ' 15' ' ' HIS . 49.2 t60 -98.54 -38.08 9.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.455 -0.778 . . . . 0.0 109.341 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.63 -50.49 57.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.227 -0.921 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.24 -43.22 78.45 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 108.889 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.76 -28.68 69.62 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.432 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -88.97 -2.52 58.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.216 -0.927 . . . . 0.0 109.801 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.89 101.53 0.67 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.033 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.528 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.257 0.551 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -83.9 97.21 9.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.256 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -63.44 -34.4 77.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.811 -0.555 . . . . 0.0 110.35 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.456 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.07 -22.59 64.0 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.138 -0.976 . . . . 0.0 111.107 -178.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -73.48 -35.21 65.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.65 -1.281 . . . . 0.0 109.969 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.37 -45.53 76.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.162 -0.961 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.665 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.439 ' HG3' HG23 ' A' ' 81' ' ' THR . 52.9 ttm -60.1 -35.88 76.18 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.615 -0.678 . . . . 0.0 110.194 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.12 -40.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.827 -1.171 . . . . 0.0 108.809 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.72 74.32 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.418 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -78.57 -46.67 18.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.855 -1.153 . . . . 0.0 109.963 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mm -45.75 -30.46 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.101 -0.999 . . . . 0.0 108.994 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -74.1 -50.98 17.11 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.221 -0.925 . . . . 0.0 108.821 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 t -74.13 -26.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.255 -0.903 . . . . 0.0 109.394 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.5 m-85 -71.19 -49.15 46.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.929 -1.107 . . . . 0.0 110.081 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.447 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.45 -32.14 58.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.071 . . . . 0.0 110.313 -178.607 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.81 -41.85 82.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.997 -1.065 . . . . 0.0 110.535 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -86.18 -57.96 2.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 109.845 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.72 -27.01 4.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.943 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.12 3.1 55.1 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -58.64 -42.7 88.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.603 -1.527 . . . . 0.0 109.002 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.05 171.01 9.95 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.826 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.02 -125.11 7.18 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 0.5 OUTLIER -80.43 -167.39 1.32 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.335 -1.097 . . . . 0.0 109.592 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -88.92 -14.95 35.54 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.34 -0.85 . . . . 0.0 110.435 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.64 66.57 0.12 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.607 -1.308 . . . . 0.0 111.017 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -143.55 149.88 38.07 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.2 tt -95.9 123.58 39.55 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.212 -0.93 . . . . 0.0 110.613 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 156.9 20.64 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 16.6 mttm -47.93 -45.39 30.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 0.0 109.709 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -50.78 -17.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 109.08 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 77.9 mt-10 -101.62 -39.47 7.46 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.9 OUTLIER -65.34 -49.34 69.78 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.252 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.458 ' HA ' HD11 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -68.97 -36.95 78.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.982 -1.074 . . . . 0.0 108.617 179.193 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.51 -30.88 53.16 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.793 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.1 tp -70.36 -37.6 74.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' B' ' 32' ' ' LEU . 73.9 mt -69.14 -39.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.726 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -79.15 -22.72 44.66 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.385 -0.822 . . . . 0.0 110.923 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -95.41 -20.07 19.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.757 -1.215 . . . . 0.0 112.823 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.96 -53.26 1.13 Allowed 'General case' 0 N--CA 1.509 2.511 0 O-C-N 120.62 -1.3 . . . . 0.0 110.406 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.759 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.6 mm? -85.89 31.56 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.079 -1.013 . . . . 0.0 108.596 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -83.25 -19.91 35.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.993 -1.067 . . . . 0.0 108.645 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.64 -21.86 28.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -107.25 -49.46 3.26 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -101.29 130.88 47.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.35 -0.844 . . . . 0.0 109.382 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.11 145.67 25.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 52.9 mp0 -62.46 107.13 0.87 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.196 -0.94 . . . . 0.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' B' ' 33' ' ' LYS . 3.7 pt -67.84 125.97 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.594 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -100.33 -13.51 18.78 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -119.18 120.55 37.41 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 53' ' ' VAL . 12.3 pt20 -59.62 -19.69 50.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.25 -0.906 . . . . 0.0 109.958 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -41.32 -42.02 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.081 -1.012 . . . . 0.0 111.38 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.67 -35.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.735 -1.228 . . . . 0.0 107.997 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.15 -24.0 32.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.41 -35.95 46.38 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -53.81 8.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.482 -0.761 . . . . 0.0 109.104 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.21 -38.62 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 66' ' ' GLY . 33.6 ttm -61.04 -24.66 66.36 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -74.31 -37.42 63.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 108.758 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.3 m -76.95 -31.73 56.8 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 4.5 mm? -90.58 -45.57 8.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.106 -0.996 . . . . 0.0 110.401 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 62.9 t0 -56.26 98.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.505 -1.372 . . . . 0.0 109.562 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -90.22 -37.63 14.0 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.8 p-10 -80.57 -4.91 55.83 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.91 45.65 86.77 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' B' ' 67' ' ' GLU . 22.8 p30 -99.61 -5.97 28.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.408 -1.054 . . . . 0.0 109.956 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' B' ' 57' ' ' MET . . . 69.27 0.67 23.43 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -128.36 173.58 10.06 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.517 ' O ' ' O ' ' B' ' 69' ' ' ASP . 2.8 m -127.06 94.11 3.93 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.259 -0.901 . . . . 0.0 110.214 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' B' ' 68' ' ' CYS . 2.0 p-10 -50.65 -171.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -78.92 -30.53 44.8 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.641 -1.287 . . . . 0.0 111.362 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -75.75 -36.52 59.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.944 -1.098 . . . . 0.0 109.97 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 11.7 tt0 -85.5 -37.25 19.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.092 -1.005 . . . . 0.0 108.349 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 1.2 t80 -53.01 -46.59 68.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 108.645 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.418 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -56.28 -43.65 79.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.581 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.52 -19.9 2.57 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.326 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -73.73 -55.17 6.58 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.734 -1.187 . . . . 0.0 108.878 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.2 t -54.86 -28.7 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.678 ' O ' HG23 ' B' ' 82' ' ' THR . 7.0 t -67.0 -34.57 78.04 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.73 -34.31 60.31 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.842 -0.536 . . . . 0.0 109.964 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.22 -31.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.8 m -73.53 -34.92 65.45 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.678 HG23 ' O ' ' B' ' 78' ' ' SER . 17.9 p -75.22 -36.33 61.36 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.997 -1.064 . . . . 0.0 111.209 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.8 91.63 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.254 -1.529 . . . . 0.0 108.515 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 81' ' ' THR . 23.2 p -66.23 -10.65 44.01 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.141 -1.023 . . . . 0.0 108.517 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.439 ' CE1' ' ND1' ' A' ' 15' ' ' HIS . 49.0 t60 -98.36 -38.17 9.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 109.377 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.66 -50.26 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.324 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 108.849 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.79 -28.57 69.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 109.497 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -89.05 -2.55 58.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.266 -0.896 . . . . 0.0 109.843 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -65.91 101.52 0.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.006 -1.059 . . . . 0.0 109.029 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.502 -179.691 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.527 0.679 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m -94.09 76.1 4.07 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -48.8 -33.14 9.86 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD23 HG21 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -68.51 -19.89 64.55 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 109.941 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -73.25 -27.34 61.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.768 -1.208 . . . . 0.0 107.836 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 22.3 mmtt -68.12 -47.0 69.33 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.33 -54.83 26.81 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.484 0.659 . . . . 0.0 109.931 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -49.91 -39.91 41.55 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.265 -0.897 . . . . 0.0 110.09 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.28 -39.17 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 109.712 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.94 71.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 109.484 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.4 mp -79.97 -48.75 12.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.021 -1.05 . . . . 0.0 110.215 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.73 -38.89 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.128 -0.983 . . . . 0.0 109.476 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.04 -51.37 47.58 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.218 -0.926 . . . . 0.0 109.502 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG21 HD23 ' B' ' 3' ' ' LEU . 91.0 t -74.49 -26.89 20.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.414 -0.804 . . . . 0.0 110.151 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 m-85 -72.63 -45.9 56.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.093 . . . . 0.0 109.983 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -75.71 -32.7 60.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.897 -1.127 . . . . 0.0 110.393 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.91 -40.44 91.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.754 -1.216 . . . . 0.0 109.653 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 29.0 m-85 -90.35 -58.2 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.087 . . . . 0.0 109.346 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 2.2 t -55.71 -26.19 43.98 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 108.85 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.63 -1.06 62.21 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -64.36 -45.26 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.826 -1.397 . . . . 0.0 108.892 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.86 162.63 23.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.435 -0.791 . . . . 0.0 109.297 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 105.65 -143.24 15.67 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 25' ' ' HIS . 26.1 t0 -78.43 29.98 0.19 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.259 -1.142 . . . . 0.0 109.385 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.2 tmtp? 66.24 -12.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.325 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 23' ' ' ASP . 30.2 m-70 -152.14 47.98 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.864 -1.148 . . . . 0.0 109.751 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 18' ' ' SER . 27.8 ttmt -141.18 148.71 40.42 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.3 mp -95.28 130.33 42.08 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.111 -0.993 . . . . 0.0 110.806 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -110.9 159.52 17.62 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 176.589 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -45.76 -47.81 15.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.854 -1.153 . . . . 0.0 109.804 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.9 -19.99 2.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -97.8 -28.94 13.64 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.234 -0.916 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -79.37 -53.57 6.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.181 -0.95 . . . . 0.0 109.649 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -67.96 -35.39 78.3 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 109.489 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -76.9 -31.53 56.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.035 -1.04 . . . . 0.0 109.746 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.5 tp -73.63 -33.92 64.77 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.962 -1.087 . . . . 0.0 108.598 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 32' ' ' LEU . 60.7 mt -67.16 -41.21 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.525 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -82.05 -22.93 36.14 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.247 -0.908 . . . . 0.0 111.41 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -88.96 -45.76 9.42 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.362 -1.462 . . . . 0.0 112.217 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.07 -46.64 3.86 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.9 -1.125 . . . . 0.0 110.675 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.42 32.22 0.72 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.937 -1.102 . . . . 0.0 109.779 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -15.86 38.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.843 -1.161 . . . . 0.0 110.175 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.1 -30.35 14.7 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.08 -1.012 . . . . 0.0 110.262 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.99 -58.56 1.85 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.205 -0.935 . . . . 0.0 109.031 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 36' ' ' ILE . 44.1 tp -79.94 138.42 37.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 47' ' ' ILE . 50.1 mt-10 -49.06 130.15 18.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.209 -0.932 . . . . 0.0 110.281 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.95 84.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.7 mt -55.36 129.49 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 108.797 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -115.36 -18.64 10.98 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.41 152.21 21.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.408 -0.807 . . . . 0.0 109.253 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' VAL . 6.8 pt20 -92.8 -29.3 16.07 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.06 -1.025 . . . . 0.0 110.396 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -44.92 -33.82 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.28 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.48 -37.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.78 -24.39 34.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.7 -34.1 52.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -78.88 -49.37 12.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.585 -0.697 . . . . 0.0 109.572 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -53.18 -40.22 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.736 -1.227 . . . . 0.0 108.06 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.7 mmm -59.38 -31.95 69.69 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.21 -36.95 85.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.871 . . . . 0.0 109.155 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -81.27 -32.21 33.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.401 -0.812 . . . . 0.0 109.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.4 mm? -94.2 -48.33 6.24 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.258 -0.901 . . . . 0.0 111.242 -178.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.7 t0 -56.02 104.12 0.13 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.227 -1.546 . . . . 0.0 109.197 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' CD ' HE22 ' A' ' 71' ' ' GLN . 10.3 pt-20 -90.98 -44.34 9.39 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p30 -75.21 -3.75 34.88 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.15 44.86 94.62 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.946 -2.062 . . . . 0.0 107.946 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -96.2 -3.76 43.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.582 -0.952 . . . . 0.0 109.196 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.46 0.31 62.22 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.007 -2.037 . . . . 0.0 108.007 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.2 170.56 11.13 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 65.7 m -122.96 91.49 3.5 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.437 -0.79 . . . . 0.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 34.0 t0 -49.76 178.46 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.5 OUTLIER -72.56 -29.3 63.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.055 . . . . 0.0 111.02 -179.314 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.521 HE22 ' CD ' ' A' ' 62' ' ' GLU . 2.0 pp0? -73.36 -37.86 65.9 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.747 -1.22 . . . . 0.0 111.275 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 5.9 pt-20 -89.52 -35.36 15.98 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.381 -1.449 . . . . 0.0 108.312 178.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CD1' HD22 ' A' ' 27' ' ' LEU . 1.3 t80 -51.31 -45.29 62.16 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -60.5 -45.14 94.85 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.31 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.57 -20.26 1.87 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.468 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.85 -51.1 13.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.053 -1.029 . . . . 0.0 108.733 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.413 HG21 HD11 ' B' ' 3' ' ' LEU . 39.5 t -56.47 -37.3 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.152 -0.968 . . . . 0.0 109.003 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.03 -31.05 71.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.284 -0.885 . . . . 0.0 109.117 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.413 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 2.0 ttp -71.54 -26.23 62.55 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -86.52 -34.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -72.99 -35.59 66.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.673 HG21 ' CD1' ' B' ' 70' ' ' PHE . 13.2 p -65.05 -40.35 94.64 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.573 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.9 92.72 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.956 -1.09 . . . . 0.0 108.546 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -66.85 -17.72 65.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -103.45 -35.54 8.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.538 -0.726 . . . . 0.0 109.527 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -76.7 -46.01 27.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.336 -0.853 . . . . 0.0 111.15 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.27 -41.48 94.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.905 -1.122 . . . . 0.0 110.055 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -86.16 18.82 2.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.952 -1.093 . . . . 0.0 109.752 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -84.8 -114.44 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 108.998 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -71.15 99.55 1.89 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.971 -1.081 . . . . 0.0 109.501 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.465 179.767 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.468 0.651 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m -94.07 75.9 4.09 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.362 -0.836 . . . . 0.0 109.798 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -48.49 -33.88 10.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.463 -0.773 . . . . 0.0 109.162 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.2 -19.75 64.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.166 -0.959 . . . . 0.0 109.752 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -73.18 -27.7 61.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.699 -1.25 . . . . 0.0 107.993 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -67.93 -47.11 69.63 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.82 -54.26 33.99 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.239 0.542 . . . . 0.0 110.098 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.5 mtt -50.33 -39.41 46.04 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.945 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.19 -38.65 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.982 -1.073 . . . . 0.0 109.577 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.33 70.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.216 -0.927 . . . . 0.0 109.536 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.1 mp -79.77 -48.87 12.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mt -46.12 -38.54 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.97 -1.081 . . . . 0.0 109.494 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -68.31 -51.13 48.17 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 3' ' ' LEU . 96.3 t -74.62 -26.81 20.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 110.191 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.7 m-85 -72.6 -46.15 55.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.063 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.21 -32.59 61.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 110.47 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.22 -40.9 90.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.806 -1.184 . . . . 0.0 109.624 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 28.9 m-85 -90.22 -58.03 2.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.921 -1.112 . . . . 0.0 109.354 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 2.8 t -56.01 -26.48 48.91 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.916 -1.115 . . . . 0.0 108.926 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.65 -0.48 62.52 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -64.23 -45.62 87.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.839 -1.389 . . . . 0.0 108.641 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.21 161.48 22.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.527 -0.733 . . . . 0.0 109.292 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 107.47 -143.33 15.91 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' B' ' 25' ' ' HIS . 26.2 t0 -78.58 29.05 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -1.136 . . . . 0.0 109.44 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' B' ' 22' ' ' GLY . 3.8 tmtp? 67.14 -12.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 109.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 23' ' ' ASP . 33.6 m-70 -152.26 47.93 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.949 -1.094 . . . . 0.0 109.499 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' B' ' 18' ' ' SER . 27.7 ttmt -141.34 148.95 40.51 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 73' ' ' PHE . 1.1 mp -95.79 129.95 42.86 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.041 -1.037 . . . . 0.0 110.761 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -110.59 159.03 17.93 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 28' ' ' LYS . 37.6 mttm -45.44 -47.85 13.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.815 -1.178 . . . . 0.0 109.577 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -52.16 -19.81 2.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.113 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 28' ' ' LYS . 60.6 mt-10 -97.82 -28.24 13.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.121 -0.987 . . . . 0.0 109.283 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.79 -54.21 6.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.251 -0.906 . . . . 0.0 109.603 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.0 -1.063 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.07 -31.34 55.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.941 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.81 -34.54 64.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 108.589 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.501 HD11 ' CD2' ' B' ' 32' ' ' LEU . 65.3 mt -66.37 -41.41 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.554 -0.716 . . . . 0.0 109.449 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -81.94 -23.28 36.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.406 -0.809 . . . . 0.0 111.528 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -88.86 -45.64 9.57 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.388 -1.445 . . . . 0.0 112.232 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -106.97 -46.8 3.84 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.917 -1.115 . . . . 0.0 110.793 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 31.58 0.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.959 -1.088 . . . . 0.0 109.845 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -15.96 39.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.975 -1.078 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -94.31 -31.05 14.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.933 -1.104 . . . . 0.0 110.115 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.01 -59.06 1.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.071 -1.018 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.49 HD23 HG23 ' B' ' 36' ' ' ILE . 51.5 tp -79.58 138.84 37.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.019 -1.051 . . . . 0.0 108.688 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 47' ' ' ILE . 47.6 mt-10 -49.07 130.12 18.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.065 -1.022 . . . . 0.0 110.374 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.37 84.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.972 . . . . 0.0 109.477 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' B' ' 45' ' ' GLU . 5.5 mt -55.64 129.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -115.32 -18.06 11.15 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.68 151.97 21.39 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.739 . . . . 0.0 109.26 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' B' ' 53' ' ' VAL . 8.7 pt20 -92.71 -29.19 16.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.212 -0.93 . . . . 0.0 110.329 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -45.34 -33.53 2.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 110.112 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 53' ' ' VAL . 27.5 m -74.57 -37.79 44.45 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -65.71 -23.83 33.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -78.5 -33.72 47.95 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -79.23 -49.34 12.66 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.37 -40.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.773 -1.205 . . . . 0.0 108.162 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.576 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.8 mmm -59.68 -31.48 69.6 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.16 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -65.26 -36.29 83.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 0.0 109.085 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -82.04 -31.58 30.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.44 -0.787 . . . . 0.0 109.754 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.4 mm? -94.61 -48.64 5.99 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.275 -0.891 . . . . 0.0 111.35 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.2 t0 -55.77 104.2 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.251 -1.53 . . . . 0.0 109.107 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.571 ' CD ' HE22 ' B' ' 71' ' ' GLN . 10.0 pt-20 -90.91 -44.55 9.3 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' B' ' 62' ' ' GLU . 1.3 p30 -74.61 -4.88 39.75 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.98 44.99 95.83 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -96.28 -3.8 43.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.575 -0.956 . . . . 0.0 109.218 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -0.09 62.78 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.03 169.88 11.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.576 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 63.3 m -122.15 91.79 3.58 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 109.984 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 32.2 t0 -49.99 179.16 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.673 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -73.21 -29.0 62.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.12 -0.988 . . . . 0.0 110.852 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.571 HE22 ' CD ' ' B' ' 62' ' ' GLU . 1.9 pp0? -73.8 -38.12 64.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.955 -1.091 . . . . 0.0 110.932 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 5.2 pt-20 -89.19 -35.28 16.31 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.224 -1.547 . . . . 0.0 108.301 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' B' ' 27' ' ' LEU . 1.3 t80 -51.41 -45.27 62.5 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 178.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.66 -20.08 1.88 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.565 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -75.91 -50.78 14.02 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.074 -1.016 . . . . 0.0 108.693 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.86 -36.96 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.12 -0.987 . . . . 0.0 109.085 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -66.57 -31.72 72.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.248 -0.908 . . . . 0.0 109.154 -179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.6 ttp -70.9 -27.09 63.53 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.13 -34.78 8.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -73.29 -35.42 66.12 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' A' ' 70' ' ' PHE . 15.3 p -65.35 -40.55 93.77 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.678 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.2 90.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.13 . . . . 0.0 108.546 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.03 -16.28 63.97 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.038 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -103.7 -36.15 7.98 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.434 -0.791 . . . . 0.0 109.439 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.64 -45.4 30.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 111.254 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -66.3 -40.82 90.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.822 -1.174 . . . . 0.0 109.98 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -86.14 18.57 3.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.075 . . . . 0.0 109.538 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.57 -114.63 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.211 -0.931 . . . . 0.0 109.097 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -70.98 99.57 1.81 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.168 -0.958 . . . . 0.0 109.498 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.394 179.686 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 58.8 mtm . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.405 0.621 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.0 83.72 5.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.316 -0.865 . . . . 0.0 109.458 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.41 -32.77 40.66 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.66 -19.43 62.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.321 -0.862 . . . . 0.0 110.499 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -36.19 73.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.8 -1.187 . . . . 0.0 109.029 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.48 -47.33 49.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -56.13 25.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.306 -0.871 . . . . 0.0 110.604 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' B' ' 80' ' ' VAL . 13.1 mtm -53.2 -37.61 62.12 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.334 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 t -69.97 -48.67 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.0 109.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -35.35 64.81 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 110.193 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.8 mp -79.35 -46.22 18.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 mm -44.64 -48.61 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.509 -1.369 . . . . 0.0 109.822 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.11 -48.35 73.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.005 -1.06 . . . . 0.0 109.561 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 t -70.93 -26.74 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.317 -0.865 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 33.9 t80 -72.37 -50.7 24.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 109.564 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -30.68 59.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.885 . . . . 0.0 110.36 -178.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -65.17 -45.69 83.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.001 -1.062 . . . . 0.0 110.104 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -84.91 -55.56 4.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.962 -1.086 . . . . 0.0 109.301 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 44.0 p -52.9 -27.47 18.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.029 -1.044 . . . . 0.0 108.437 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.87 61.91 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 34' ' ' GLU . 44.3 ttt85 -63.41 -44.32 94.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.73 -1.453 . . . . 0.0 109.336 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.1 170.87 19.58 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.665 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.51 -175.46 2.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -44.41 105.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.665 -0.903 . . . . 0.0 109.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 88.8 mttt -52.54 169.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.421 -0.799 . . . . 0.0 109.887 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 3.4 m80 69.12 3.78 4.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.5 -0.75 . . . . 0.0 111.275 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.9 145.23 50.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.4 tt -93.89 125.18 38.36 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.691 -0.631 . . . . 0.0 109.735 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.6 mtmp? -110.54 157.97 19.06 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.575 -0.703 . . . . 0.0 110.006 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 3.9 ttpm? -48.96 -45.41 41.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.851 -1.156 . . . . 0.0 109.139 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -57.48 -20.25 29.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.137 -0.977 . . . . 0.0 108.613 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LYS . 87.2 mt-10 -98.92 -26.05 14.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.2 -58.62 2.98 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -62.89 -36.17 82.44 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.925 -1.109 . . . . 0.0 109.566 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' A' ' 20' ' ' ARG . 82.7 tt0 -73.76 -30.52 62.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.973 -1.08 . . . . 0.0 109.37 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.02 -34.71 61.93 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 mm -60.03 -45.87 94.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.684 0.754 . . . . 0.0 109.451 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -80.24 -22.18 42.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.66 -0.65 . . . . 0.0 111.797 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.79 -43.98 7.98 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.754 -1.216 . . . . 0.0 112.97 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 41' ' ' SER . 4.9 tp10 -108.47 -63.48 1.33 Allowed 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.756 -1.215 . . . . 0.0 110.5 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.621 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -72.09 30.09 0.05 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.822 -1.174 . . . . 0.0 108.639 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -92.08 -16.81 25.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.986 -1.071 . . . . 0.0 110.403 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.31 -22.87 20.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.707 -1.245 . . . . 0.0 110.144 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.15 -22.53 11.38 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.419 -0.801 . . . . 0.0 109.117 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.05 135.41 50.92 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -48.91 135.35 15.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.962 . . . . 0.0 109.45 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -56.32 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 110.196 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 36' ' ' ILE . 40.4 mt -70.73 124.39 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 108.76 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -111.12 -14.72 13.84 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 29.2 mp0 -109.6 133.66 52.85 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' VAL . 31.5 mt-30 -69.08 -19.79 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.149 -0.969 . . . . 0.0 109.489 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -40.59 -42.54 1.71 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.448 -0.782 . . . . 0.0 111.114 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.1 t -71.52 -37.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.647 HG21 ' HB2' ' A' ' 33' ' ' LYS . 41.0 t -67.67 -23.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.0 m-20 -77.82 -34.8 51.83 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -84.7 -40.54 17.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.733 -0.604 . . . . 0.0 109.453 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -38.5 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.707 -1.246 . . . . 0.0 108.44 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.8 mtp -64.64 -33.24 75.47 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.385 -0.822 . . . . 0.0 108.824 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.46 -33.74 74.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.405 -0.81 . . . . 0.0 109.222 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -83.0 -28.09 29.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.387 -0.821 . . . . 0.0 109.731 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.0 -46.23 6.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 110.198 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.6 t0 -55.88 102.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.351 . . . . 0.0 108.798 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.05 -43.45 10.5 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.8 p30 -76.06 -3.02 33.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 42.82 93.55 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -92.56 -5.63 51.28 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.546 -0.973 . . . . 0.0 109.215 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.57 2.83 90.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -135.29 169.52 17.35 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' ASP . 1.6 m -120.77 95.41 4.7 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 15.8 m-20 -54.05 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.622 ' CE2' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -68.88 -60.61 2.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.067 -1.021 . . . . 0.0 110.636 -179.284 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.6 -39.77 5.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.174 -0.954 . . . . 0.0 112.262 -177.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 4.4 pt-20 -90.43 -37.46 13.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.179 -1.576 . . . . 0.0 108.875 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.5 t80 -53.26 -44.33 68.12 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.577 -1.327 . . . . 0.0 108.054 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -44.66 92.06 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.19 -21.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.181 -1.008 . . . . 0.0 109.398 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -76.13 -49.77 16.45 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.954 -1.099 . . . . 0.0 108.336 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -55.96 -40.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.502 -0.749 . . . . 0.0 109.501 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.825 ' O ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -69.0 -24.67 64.25 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 ttt -73.16 -31.16 64.08 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' SD ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -86.49 -33.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 m -65.4 -40.31 93.26 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -58.85 -42.47 89.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.073 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.59 82.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.689 -1.257 . . . . 0.0 108.105 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.36 -16.37 60.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.47 -34.76 10.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.387 -0.821 . . . . 0.0 108.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -76.52 -36.08 57.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.547 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -65.65 -52.76 49.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.458 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -61.38 -50.44 72.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.343 -0.848 . . . . 0.0 109.525 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.03 26.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 109.44 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.52 100.57 1.12 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.108 -0.995 . . . . 0.0 109.217 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.165 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.1 mtm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.98 83.65 5.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 109.433 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.18 -32.95 38.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.7 -19.51 62.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -0.808 . . . . 0.0 110.507 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -35.98 73.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.695 -1.253 . . . . 0.0 108.992 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.61 -47.29 48.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.508 -0.745 . . . . 0.0 109.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.32 23.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.839 . . . . 0.0 110.583 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 80' ' ' VAL . 12.9 mtm -53.09 -37.74 61.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.201 -0.937 . . . . 0.0 109.294 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.96 -48.56 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.225 -0.922 . . . . 0.0 109.047 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.22 65.18 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.625 -0.672 . . . . 0.0 110.226 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' B' ' 14' ' ' PHE . 6.9 mp -79.37 -46.15 18.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.854 -1.154 . . . . 0.0 111.061 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -44.62 -48.72 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.487 -1.383 . . . . 0.0 109.847 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.0 -48.36 74.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -70.97 -26.67 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 0.0 109.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 33.7 t80 -72.52 -50.45 25.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 109.601 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.76 59.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.289 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -65.14 -45.65 84.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.016 -1.053 . . . . 0.0 110.098 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -85.04 -55.49 4.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.008 -1.057 . . . . 0.0 109.291 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -52.84 -27.45 18.35 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.049 -1.032 . . . . 0.0 108.469 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.43 3.93 61.75 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' B' ' 34' ' ' GLU . 44.2 ttt85 -63.48 -44.44 94.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.752 -1.44 . . . . 0.0 109.22 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.01 170.87 19.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.658 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.46 -175.48 2.47 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -44.34 105.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.706 -0.879 . . . . 0.0 109.916 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.42 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 88.5 mttt -52.52 168.94 0.09 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.43 -0.794 . . . . 0.0 109.882 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.42 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 3.3 m80 69.2 3.71 4.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.78 145.16 50.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.116 -0.99 . . . . 0.0 108.966 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.4 tt -93.78 125.17 38.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.647 -0.658 . . . . 0.0 109.757 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.51 157.99 19.02 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.614 -0.679 . . . . 0.0 109.958 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HG3' HG11 ' B' ' 53' ' ' VAL . 3.9 ttpm? -48.92 -45.48 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.818 -1.176 . . . . 0.0 109.088 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 m -57.48 -20.07 28.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 28' ' ' LYS . 87.6 mt-10 -99.03 -26.12 14.34 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -58.75 2.93 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.226 -0.921 . . . . 0.0 109.145 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.627 ' HB2' HG21 ' B' ' 53' ' ' VAL . 0.6 OUTLIER -62.78 -36.3 82.67 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 120.891 -1.131 . . . . 0.0 109.486 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 82.8 tt0 -73.76 -30.5 62.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 35.3 tp -75.01 -34.8 61.97 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.634 HG21 HD12 ' B' ' 47' ' ' ILE . 1.7 mm -59.97 -45.84 94.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 121.68 0.752 . . . . 0.0 109.571 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -80.26 -22.19 41.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.672 -0.642 . . . . 0.0 111.682 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.77 -43.97 7.99 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.643 -1.286 . . . . 0.0 112.928 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' B' ' 41' ' ' SER . 4.9 tp10 -108.56 -63.51 1.33 Allowed 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.677 -1.264 . . . . 0.0 110.461 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.615 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.6 mm? -72.12 30.11 0.05 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.87 -1.144 . . . . 0.0 108.706 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.545 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.06 -16.91 25.78 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.045 -1.034 . . . . 0.0 110.439 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -91.32 -22.75 20.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.779 -1.2 . . . . 0.0 110.166 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -111.12 -22.69 11.31 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -109.86 135.39 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -48.9 135.33 15.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.525 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -56.21 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 110.235 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.634 HD12 HG21 ' B' ' 36' ' ' ILE . 40.7 mt -70.85 124.55 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -111.25 -14.74 13.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 29.2 mp0 -109.41 133.71 52.74 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' B' ' 53' ' ' VAL . 31.4 mt-30 -69.23 -19.68 63.95 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 50' ' ' GLN . 31.7 mt-10 -40.64 -42.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 0.0 111.095 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -37.88 66.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' B' ' 33' ' ' LYS . 40.2 t -67.7 -23.66 29.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.3 m-20 -77.81 -34.91 51.9 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -84.62 -40.71 17.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.678 -0.639 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -38.53 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.622 -1.299 . . . . 0.0 108.509 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 30.1 mtp -64.65 -33.28 75.58 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.4 -33.86 74.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -83.01 -28.05 29.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.405 -0.809 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.09 -46.1 6.3 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' B' ' 57' ' ' MET . 48.5 t0 -56.03 102.43 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.39 -1.444 . . . . 0.0 108.783 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -89.95 -43.45 10.55 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -76.03 -3.04 33.61 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.22 42.8 93.57 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -92.51 -5.57 51.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.613 -0.934 . . . . 0.0 109.266 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.99 89.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -135.17 169.45 17.43 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' B' ' 69' ' ' ASP . 1.6 m -120.86 95.17 4.6 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.346 -0.846 . . . . 0.0 110.29 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.502 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 15.6 m-20 -53.86 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -68.92 -60.69 2.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.049 -1.032 . . . . 0.0 110.551 -179.292 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -44.54 -39.91 5.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.116 -0.99 . . . . 0.0 112.126 -177.603 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 4.4 pt-20 -90.39 -37.42 14.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.192 -1.568 . . . . 0.0 108.878 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.5 t80 -53.4 -44.18 68.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.66 -1.275 . . . . 0.0 108.058 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.438 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -59.15 -44.59 92.11 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.34 -21.18 1.3 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.385 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.16 -49.62 16.77 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 118.976 -1.09 . . . . 0.0 108.286 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -56.01 -40.46 63.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.422 -0.799 . . . . 0.0 109.45 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.829 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -68.94 -24.79 64.31 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttt -73.24 -30.9 63.79 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' SD ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -86.56 -33.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 m -65.44 -40.26 93.07 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.829 HG23 ' O ' ' B' ' 78' ' ' SER . 17.7 p -58.78 -42.6 89.39 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.67 82.71 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.752 -1.218 . . . . 0.0 108.063 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.12 -16.51 60.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.896 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.48 -34.74 10.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.377 -0.827 . . . . 0.0 108.931 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -76.45 -36.18 58.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.334 -0.854 . . . . 0.0 109.49 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -65.67 -52.75 49.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.342 -0.849 . . . . 0.0 109.564 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -61.31 -50.48 72.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.11 26.42 0.62 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.58 100.51 1.13 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.073 -1.017 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.178 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 . . . . . 0 N--CA 1.494 1.736 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.22 -19.78 63.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.532 -0.73 . . . . 0.0 109.552 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.16 -27.62 63.68 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 24.1 mmtt -71.54 -48.3 49.5 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.22 25.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.463 0.649 . . . . 0.0 110.077 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.4 mtt -50.89 -39.19 53.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.283 -0.886 . . . . 0.0 109.78 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.02 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 8.9 mp -80.73 -49.08 11.63 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.884 -1.135 . . . . 0.0 110.921 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.74 -28.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.71 -1.244 . . . . 0.0 109.502 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.34 -49.54 12.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 0.0 109.38 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.03 -27.11 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.918 . . . . 0.0 109.195 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -73.15 -47.9 40.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.297 -0.877 . . . . 0.0 109.128 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 5.5 t-80 -73.76 -35.37 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 110.628 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.07 -37.3 87.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.859 -1.151 . . . . 0.0 109.705 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -90.89 -58.9 2.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.051 -1.031 . . . . 0.0 109.195 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 38.3 p -54.64 -30.58 55.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.963 -1.086 . . . . 0.0 108.449 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.31 -1.0 67.02 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.61 -41.22 89.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.805 -1.409 . . . . 0.0 108.261 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.83 169.44 22.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.675 -0.64 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.75 -168.04 27.43 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.78 -68.22 0.19 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.227 -1.16 . . . . 0.0 109.087 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.526 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 7.2 mmtt -179.59 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.387 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 34.4 m-70 -153.93 47.79 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.182 . . . . 0.0 111.014 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -131.27 144.92 51.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -93.69 125.99 38.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.077 -1.014 . . . . 0.0 110.692 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -106.58 152.68 23.4 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.9 ttpm? -46.88 -47.23 21.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.698 -1.251 . . . . 0.0 110.311 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.6 m -49.01 -10.79 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.096 -1.002 . . . . 0.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.06 -45.17 5.48 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -55.41 35.2 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.147 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -63.07 -39.83 95.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.776 -1.203 . . . . 0.0 109.136 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 51.4 tp10 -74.66 -31.04 61.81 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.956 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.8 tp -76.8 -31.69 57.14 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.31 -39.24 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 108.76 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -81.91 -23.92 35.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.869 -179.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 22.9 m-20 -99.74 -42.18 6.96 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.118 -0.989 . . . . 0.0 111.989 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -100.16 -69.95 0.75 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.808 -1.183 . . . . 0.0 110.621 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.81 0.17 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.55 -18.01 29.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.878 -1.139 . . . . 0.0 109.802 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.05 -28.1 21.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.082 -1.011 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.02 -40.6 5.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.54 -0.725 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 80' ' ' VAL . 7.0 tp -102.67 128.18 49.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -55.07 140.28 38.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.677 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.1 pm0 -71.1 104.73 3.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.26 -0.9 . . . . 0.0 109.07 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.0 135.19 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.98 -1.075 . . . . 0.0 109.755 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 1.1 mppt? -97.21 -13.93 21.74 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 51' ' ' GLU . 85.9 mt-10 -123.91 123.85 41.33 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.596 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.8 mp0 -53.87 -12.23 0.53 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.131 -0.981 . . . . 0.0 108.45 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 49' ' ' GLU . 42.3 tt0 -38.34 -51.6 1.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.709 -0.619 . . . . 0.0 112.283 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -67.9 -35.7 73.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.502 -1.374 . . . . 0.0 107.56 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -67.49 -23.96 30.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 178.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLN . 29.7 t0 -78.1 -34.57 50.04 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.79 -42.76 19.27 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -55.07 -44.16 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.791 -1.193 . . . . 0.0 108.282 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.9 mtt -60.25 -33.34 72.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.479 -0.763 . . . . 0.0 109.464 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.54 -27.86 67.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.959 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.8 m -92.62 -27.04 17.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.41 -0.806 . . . . 0.0 109.554 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -100.84 -45.71 5.37 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 34.8 t0 -55.33 111.28 0.84 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.384 -1.448 . . . . 0.0 109.671 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -89.65 -45.45 9.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 p30 -79.56 -3.05 45.18 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.45 43.27 98.93 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 107.661 -2.176 . . . . 0.0 107.661 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 50.2 p30 -92.08 -5.79 52.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.511 -0.993 . . . . 0.0 110.331 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.14 0.05 60.18 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.0 mt-10 -126.47 171.26 11.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' ASP . 23.4 m -127.47 94.27 3.94 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.145 -0.972 . . . . 0.0 110.652 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 68' ' ' CYS . 14.5 p30 -53.0 -169.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.2 p90 -78.07 -29.74 49.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.645 -1.284 . . . . 0.0 111.048 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.56 -42.55 78.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.985 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -32.03 16.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.754 -1.216 . . . . 0.0 109.353 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.67 -44.84 70.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.611 -1.305 . . . . 0.0 108.154 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -61.85 -45.16 94.98 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 177.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.93 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.6 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.15 -50.84 29.12 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 118.626 -1.23 . . . . 0.0 108.116 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.3 t -56.64 -34.17 41.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.263 -0.898 . . . . 0.0 108.751 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 82' ' ' THR . 0.7 OUTLIER -65.51 -33.82 76.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.431 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 9.1 ttp -75.05 -25.82 58.96 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 44' ' ' LEU . 93.1 t -86.68 -35.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.9 m -73.65 -33.78 64.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 78' ' ' SER . 17.1 p -68.9 -36.18 77.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.683 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.68 82.94 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.673 -1.267 . . . . 0.0 109.029 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.48 -3.34 46.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.486 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 80.0 t60 -103.25 -37.69 7.57 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.328 -0.858 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.78 -26.2 34.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 109.234 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.55 -57.21 11.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 0.0 109.28 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 t80 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.237 -0.915 . . . . 0.0 109.384 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.19 -19.79 63.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.534 -0.729 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -71.22 -27.56 63.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -71.54 -48.37 49.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.4 -55.19 26.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.503 0.668 . . . . 0.0 110.176 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -50.66 -39.41 50.7 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.389 -0.82 . . . . 0.0 109.791 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.18 20.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.025 -1.047 . . . . 0.0 109.346 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.09 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.251 -0.906 . . . . 0.0 109.719 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.549 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 8.9 mp -80.72 -49.04 11.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.842 -1.161 . . . . 0.0 110.899 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' B' ' 10' ' ' LEU . 58.2 mt -45.74 -28.47 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.695 -1.253 . . . . 0.0 109.538 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.54 -49.46 12.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 109.275 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -77.11 -27.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.317 -0.864 . . . . 0.0 109.193 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.2 -47.86 40.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.486 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 5.5 t-80 -73.86 -35.31 64.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 110.569 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.11 -37.32 87.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.827 -1.17 . . . . 0.0 109.74 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -90.86 -58.76 2.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.974 -1.079 . . . . 0.0 109.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.8 p -54.88 -30.29 57.72 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.005 -1.059 . . . . 0.0 108.483 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.46 -1.07 66.65 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -59.56 -41.29 89.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.848 -1.383 . . . . 0.0 108.286 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.62 169.76 21.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.606 -0.684 . . . . 0.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.48 -167.99 27.75 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -50.96 -68.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.202 -1.176 . . . . 0.0 109.025 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.523 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 7.2 mmtt -179.63 -7.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 109.36 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 35.1 m-70 -153.9 47.73 0.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.801 -1.187 . . . . 0.0 111.074 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -131.29 144.92 51.63 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -93.58 125.86 38.43 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.14 -0.975 . . . . 0.0 110.732 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -106.48 152.91 23.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 2.8 ttpm? -47.03 -47.29 22.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.611 -1.306 . . . . 0.0 110.254 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.9 m -48.92 -10.8 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.063 -1.023 . . . . 0.0 110.88 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -101.0 -45.33 5.44 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -55.22 37.69 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.115 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -63.25 -39.76 95.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.784 -1.197 . . . . 0.0 109.132 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.4 tp10 -74.74 -31.11 61.73 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.896 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.7 tp -76.67 -31.81 57.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.29 -39.21 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.302 -0.874 . . . . 0.0 108.81 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.6 OUTLIER -81.88 -23.85 36.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.483 -0.761 . . . . 0.0 110.902 -179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 23.6 m-20 -99.88 -42.14 6.93 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.123 -0.986 . . . . 0.0 111.938 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -100.16 -69.98 0.75 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.793 -1.192 . . . . 0.0 110.596 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 0.0 109.549 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.62 -18.06 28.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 109.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -88.0 -28.03 21.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.93 -40.87 5.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.577 -0.702 . . . . 0.0 109.372 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' B' ' 80' ' ' VAL . 6.9 tp -102.51 128.21 49.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.399 -0.813 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -55.11 140.33 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.1 pm0 -70.98 104.53 3.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.83 135.1 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 1.1 mppt? -97.17 -13.99 21.75 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' B' ' 51' ' ' GLU . 85.1 mt-10 -123.93 123.87 41.36 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.606 ' H ' ' CD ' ' B' ' 50' ' ' GLN . 1.8 mp0 -53.82 -12.23 0.51 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.121 -0.987 . . . . 0.0 108.472 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.459 ' N ' ' C ' ' B' ' 49' ' ' GLU . 41.4 tt0 -38.34 -51.57 1.52 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.728 -0.608 . . . . 0.0 112.29 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.429 HG23 ' H ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -67.91 -35.76 73.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 118.287 -1.365 . . . . 0.0 107.585 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.6 OUTLIER -67.45 -24.01 30.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.5 t0 -78.07 -34.57 50.26 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.76 -42.9 19.12 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -54.88 -44.22 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.87 -1.144 . . . . 0.0 108.395 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.445 ' O ' ' N ' ' B' ' 61' ' ' ASP . 20.2 mtt -60.23 -33.53 72.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 0.0 109.396 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.37 -27.99 67.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.114 -0.991 . . . . 0.0 109.009 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -92.4 -26.92 17.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 109.57 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.92 -45.78 5.32 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.304 -0.872 . . . . 0.0 110.804 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 34.6 t0 -55.27 111.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.398 -1.439 . . . . 0.0 109.788 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -89.52 -45.43 9.41 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 5.3 p30 -79.62 -3.03 45.29 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.3 43.51 98.48 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.524 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 51.5 p30 -92.23 -5.82 51.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.517 -0.99 . . . . 0.0 110.289 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 75.01 0.27 60.08 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.6 mt-10 -126.51 171.39 11.11 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' B' ' 69' ' ' ASP . 23.2 m -127.57 94.28 3.93 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.147 -0.97 . . . . 0.0 110.666 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 68' ' ' CYS . 14.8 p30 -53.07 -170.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.694 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.2 p90 -77.9 -29.75 50.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 111.067 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.54 -42.61 78.18 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.129 -0.982 . . . . 0.0 110.94 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.18 -31.87 16.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.694 -1.254 . . . . 0.0 109.361 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -53.82 -44.71 70.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.575 -1.328 . . . . 0.0 108.072 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -61.92 -45.32 94.23 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.2 -21.97 3.88 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.592 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -71.08 -50.84 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.68 -1.208 . . . . 0.0 108.111 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.2 t -56.67 -34.17 41.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 108.762 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.621 0.724 . . . . 0.0 109.086 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.5 ttp -75.09 -25.68 58.74 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' B' ' 44' ' ' LEU . 93.2 t -86.67 -35.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.48 ' N ' ' O ' ' B' ' 77' ' ' VAL . 15.3 m -73.76 -33.73 64.41 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 17.8 p -68.85 -36.35 78.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 110.798 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.66 83.49 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.685 -1.259 . . . . 0.0 109.005 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 16.0 p -79.72 -3.26 46.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.264 -0.898 . . . . 0.0 109.515 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.461 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 80.1 t60 -103.19 -37.83 7.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.362 -0.836 . . . . 0.0 109.371 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.73 -26.33 34.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.25 -57.37 11.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 0.0 109.366 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.46 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.4 0.619 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.937 HD13 HD21 ' B' ' 40' ' ' LEU . 2.5 mt -72.67 -22.41 60.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 tp10 -76.38 -34.19 58.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.679 -1.263 . . . . 0.0 108.98 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -68.87 -46.38 68.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.987 . . . . 0.0 108.638 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -56.84 -54.53 45.42 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 14.7 mtt -49.42 -40.61 37.09 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.568 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.64 -49.55 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.0 109.415 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.213 -0.929 . . . . 0.0 109.18 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -79.79 -53.72 6.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 0.0 110.378 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.1 mt -46.07 -33.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.218 -0.926 . . . . 0.0 109.55 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.48 -50.46 31.35 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -75.81 -26.27 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.19 -0.944 . . . . 0.0 109.117 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.2 m-85 -69.2 -53.5 19.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.24 -26.03 59.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 110.76 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.09 -40.22 82.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.562 -1.336 . . . . 0.0 110.072 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.545 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 12.7 m-85 -90.72 -54.59 3.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 109.066 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -56.62 -22.21 32.54 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.84 -1.99 59.78 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 46.3 ttt180 -61.68 -44.3 97.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.873 -1.369 . . . . 0.0 108.399 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.95 169.67 22.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.527 -0.733 . . . . 0.0 109.667 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.4 -167.98 18.31 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -49.51 -58.29 5.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.968 . . . . 0.0 109.265 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -179.66 -42.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -133.29 58.18 1.78 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.458 -0.776 . . . . 0.0 110.496 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 18' ' ' SER . 9.0 tppt? -131.14 143.98 51.03 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.53 130.1 41.07 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.053 -1.029 . . . . 0.0 110.574 -178.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 66.9 mttt -107.87 153.84 22.44 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.7 ttpp -45.5 -46.96 14.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.961 -1.087 . . . . 0.0 109.321 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -48.85 -11.6 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.331 -0.856 . . . . 0.0 109.467 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' LEU . 36.1 mt-10 -97.26 -37.05 10.22 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 109.347 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -59.64 4.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.809 -1.182 . . . . 0.0 108.335 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -56.75 -36.91 70.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 85.8 mt-10 -82.35 -37.07 26.21 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.104 -0.998 . . . . 0.0 110.136 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.6 tp -71.99 -29.72 64.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.147 -0.971 . . . . 0.0 109.26 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -78.13 -41.08 26.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.629 -0.669 . . . . 0.0 110.458 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -81.84 -27.21 33.68 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.156 -0.965 . . . . 0.0 112.209 -178.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.545 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 1.6 p-10 -90.08 -43.17 10.67 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.575 -1.328 . . . . 0.0 111.79 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 32.9 mm-40 -102.39 -61.1 1.44 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.984 -1.072 . . . . 0.0 110.473 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.932 HD21 HD13 ' B' ' 3' ' ' LEU . 3.2 mt -78.11 34.96 0.2 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -17.94 33.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.031 . . . . 0.0 110.084 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.23 -18.46 18.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.945 -1.097 . . . . 0.0 109.737 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CZ ' ' CD ' ' B' ' 4' ' ' GLU . 49.7 m-85 -113.07 -37.36 4.8 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.406 -0.809 . . . . 0.0 109.546 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -110.22 130.23 55.58 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -52.17 135.21 32.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.94 103.14 3.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.845 . . . . 0.0 108.971 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 pt -63.25 140.31 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.057 -1.027 . . . . 0.0 109.895 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -108.41 -18.11 13.83 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.97 148.23 35.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' ASP . 21.0 mt-30 -83.92 -19.98 33.79 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.213 -0.93 . . . . 0.0 109.23 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -41.06 -46.01 2.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -0.857 . . . . 0.0 111.971 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.01 -37.26 53.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.585 -1.322 . . . . 0.0 107.965 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -24.24 34.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 30.5 t0 -77.33 -33.15 55.57 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -80.08 -49.27 12.0 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -50.62 -44.06 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.781 -1.199 . . . . 0.0 108.614 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.5 mtt -57.95 -37.86 74.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.391 -0.818 . . . . 0.0 109.035 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.47 -35.03 73.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 m -87.02 -33.8 19.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -92.52 -47.92 6.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.01 -1.056 . . . . 0.0 110.429 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 4.7 t0 -55.04 108.86 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.261 -1.524 . . . . 0.0 108.631 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -84.42 -50.15 8.03 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.74 -1.19 23.77 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 53.55 46.18 66.13 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 40.2 p-10 -93.94 -5.55 47.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.577 -0.955 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.49 -0.56 89.25 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 17.6 mp0 -131.18 162.64 29.48 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 34.5 m -116.76 99.26 7.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.352 -0.843 . . . . 0.0 111.389 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 33.5 t0 -51.76 -176.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.7 OUTLIER -73.95 -29.14 61.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.515 -1.366 . . . . 0.0 111.314 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.0 -39.7 65.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.865 -1.147 . . . . 0.0 111.857 -177.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 4.7 pt-20 -89.18 -32.92 17.23 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.19 -1.569 . . . . 0.0 108.229 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' HD22 ' A' ' 27' ' ' LEU . 1.5 t80 -53.07 -46.62 68.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.069 -1.02 . . . . 0.0 108.34 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.448 ' HE2' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -59.95 -43.86 94.74 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.257 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.85 -20.57 2.31 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.159 -1.016 . . . . 0.0 109.368 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 80' ' ' VAL . 25.7 t80 -72.01 -52.2 18.17 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.39 -36.23 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 82' ' ' THR . 8.5 t -65.21 -31.18 72.21 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.958 0.885 . . . . 0.0 108.858 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.17 -31.78 61.09 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.562 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.14 -31.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -36.75 67.71 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 78' ' ' SER . 7.8 p -66.31 -39.45 89.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.187 -0.945 . . . . 0.0 110.478 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.17 95.71 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.68 -1.262 . . . . 0.0 108.745 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.16 -23.77 67.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.49 -34.39 12.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.435 -0.791 . . . . 0.0 108.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 82' ' ' THR . 36.2 tt0 -75.12 -48.38 24.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.512 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -51.87 -45.2 64.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.399 -0.813 . . . . 0.0 109.858 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.932 HD13 HD21 ' A' ' 40' ' ' LEU . 2.6 mt -72.41 -22.64 61.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -0.963 . . . . 0.0 109.981 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.476 ' CD ' ' CZ ' ' A' ' 43' ' ' PHE . 30.3 tp10 -76.18 -34.35 59.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.786 -1.197 . . . . 0.0 109.042 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -69.01 -46.21 68.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 108.589 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.467 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -57.02 -54.52 45.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 14.3 mtt -49.27 -40.67 35.22 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.382 -0.823 . . . . 0.0 109.61 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.46 -49.61 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.21 69.18 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.302 -0.874 . . . . 0.0 109.195 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 6' ' ' ALA . 0.9 OUTLIER -79.8 -53.87 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 110.407 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.98 -33.29 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.39 -50.64 30.02 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.394 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.6 -26.33 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.319 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.2 m-85 -69.08 -53.4 20.51 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.985 -1.072 . . . . 0.0 110.556 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -26.12 60.1 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.717 -1.239 . . . . 0.0 110.755 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.12 -40.23 82.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.557 -1.339 . . . . 0.0 110.109 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.535 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 12.8 m-85 -90.72 -54.86 3.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.941 -1.099 . . . . 0.0 109.042 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.9 OUTLIER -56.43 -22.17 30.09 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.74 -2.13 59.9 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 44.7 ttt180 -61.77 -44.2 97.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.853 -1.381 . . . . 0.0 108.487 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.95 169.77 21.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.606 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.15 -167.99 18.61 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.48 -58.21 5.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.578 -0.954 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -179.74 -42.85 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -133.3 58.3 1.77 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.396 -0.815 . . . . 0.0 110.451 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.428 ' N ' ' OG ' ' B' ' 18' ' ' SER . 9.1 tppt? -131.35 143.95 50.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -94.67 130.29 41.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.15 -0.969 . . . . 0.0 110.565 -178.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.504 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 67.9 mttt -108.0 153.86 22.48 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.2 ttpp -45.54 -46.85 14.3 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.994 -1.066 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -49.07 -11.29 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.478 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 29' ' ' LYS . 36.0 mt-10 -97.48 -37.06 10.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.37 -0.831 . . . . 0.0 109.335 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -62.89 -59.89 4.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.852 -1.155 . . . . 0.0 108.277 178.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -56.53 -37.0 69.88 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.485 -0.759 . . . . 0.0 109.995 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 86.5 mt-10 -82.43 -36.91 26.19 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.117 -0.989 . . . . 0.0 110.18 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 31' ' ' GLU . 63.9 tp -71.92 -30.12 65.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.98 -40.99 27.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.653 -0.654 . . . . 0.0 110.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER -81.9 -27.03 33.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.122 -0.986 . . . . 0.0 112.1 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 1.6 p-10 -90.26 -43.25 10.51 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.628 -1.295 . . . . 0.0 111.836 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 33.1 mm-40 -102.3 -60.88 1.47 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.997 -1.064 . . . . 0.0 110.504 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.937 HD21 HD13 ' A' ' 3' ' ' LEU . 3.1 mt -78.25 34.97 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.108 -0.995 . . . . 0.0 109.587 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.938 -1.102 . . . . 0.0 110.135 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.33 -18.26 18.43 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.992 -1.067 . . . . 0.0 109.874 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 4' ' ' GLU . 49.5 m-85 -113.3 -37.62 4.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.527 -0.733 . . . . 0.0 109.441 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 40' ' ' LEU . 15.3 tp -109.8 130.25 55.54 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -52.22 135.23 32.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.023 -1.048 . . . . 0.0 109.669 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.02 103.14 3.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.905 . . . . 0.0 108.924 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 pt -63.18 140.45 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.105 -0.997 . . . . 0.0 109.875 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -108.64 -18.08 13.81 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.06 148.36 35.36 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' B' ' 54' ' ' ASP . 22.0 mt-30 -83.87 -20.19 33.53 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -40.93 -46.02 2.69 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.466 -0.771 . . . . 0.0 111.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.1 m -73.14 -37.08 51.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.521 -1.362 . . . . 0.0 107.873 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.404 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -65.62 -24.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.6 t0 -77.15 -33.45 56.64 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -79.66 -49.33 12.29 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -50.71 -44.01 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.814 -1.179 . . . . 0.0 108.666 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 19.8 mtt -57.94 -37.7 74.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.798 . . . . 0.0 109.083 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.48 -34.94 73.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.412 -0.805 . . . . 0.0 109.344 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 27.8 m -87.24 -33.65 19.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.839 . . . . 0.0 110.036 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.69 -48.0 6.8 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.086 -1.009 . . . . 0.0 110.463 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 4.7 t0 -54.98 108.74 0.43 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.259 -1.526 . . . . 0.0 108.662 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -84.36 -50.29 7.95 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.69 -1.29 24.13 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 53.72 46.16 67.58 Favored Glycine 0 N--CA 1.485 1.967 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 40.3 p-10 -94.01 -5.65 47.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.459 -1.024 . . . . 0.0 109.412 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.7 -0.63 89.18 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.4 mp0 -131.11 162.51 29.71 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 34.2 m -116.67 99.62 7.26 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.388 -0.82 . . . . 0.0 111.3 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 34.0 t0 -52.01 -176.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.657 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.99 -29.42 61.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.461 -1.399 . . . . 0.0 111.306 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.494 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -72.62 -39.74 67.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.794 -1.191 . . . . 0.0 111.951 -177.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.6 pt-20 -89.14 -33.02 17.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.262 -1.524 . . . . 0.0 108.282 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' B' ' 27' ' ' LEU . 1.5 t80 -53.15 -46.66 68.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 108.285 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.443 ' HE2' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -59.77 -44.09 94.04 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 178.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.63 -20.61 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.363 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.407 ' O ' HG13 ' B' ' 80' ' ' VAL . 25.4 t80 -72.08 -52.27 17.64 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -53.23 -36.24 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 122.019 0.914 . . . . 0.0 108.638 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.655 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -65.08 -31.32 72.47 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.883 0.849 . . . . 0.0 108.83 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.15 -31.69 61.11 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.755 -0.591 . . . . 0.0 109.564 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.407 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.1 -32.16 6.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -72.75 -36.94 67.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 78' ' ' SER . 7.4 p -66.08 -39.65 90.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 110.431 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.3 96.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.776 -1.203 . . . . 0.0 108.73 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.12 -23.56 67.17 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.523 -0.871 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.57 -34.47 12.64 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 82' ' ' THR . 36.6 tt0 -75.13 -48.3 24.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.558 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -51.96 -45.0 64.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.041 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.363 -0.836 . . . . 0.0 109.859 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 44.3 mt-10 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.744 HD13 HD21 ' B' ' 40' ' ' LEU . 1.5 mt -73.38 -25.77 60.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -75.28 -31.61 60.78 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.53 -1.356 . . . . 0.0 109.557 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -63.85 -43.08 97.22 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.19 -0.944 . . . . 0.0 108.588 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.91 64.08 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 109.811 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.8 mtt -52.26 -43.3 64.31 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.32 -49.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.265 -0.897 . . . . 0.0 109.736 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' B' ' 2' ' ' GLU . . . -58.13 -30.71 66.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.52 -0.737 . . . . 0.0 109.224 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.34 -52.59 7.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.09 -1.006 . . . . 0.0 110.287 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mt -45.74 -30.54 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.145 -0.972 . . . . 0.0 109.538 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 99.2 m-20 -76.14 -49.08 18.3 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.66 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -78.91 -26.8 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.149 -0.969 . . . . 0.0 109.031 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.98 -53.72 13.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -71.21 -31.53 67.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 0.0 110.743 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 37.3 mm-40 -67.94 -36.97 81.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.839 -1.163 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -93.92 -56.96 2.69 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.009 . . . . 0.0 109.305 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -52.95 -23.36 7.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.659 -1.275 . . . . 0.0 108.253 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.82 -3.16 55.08 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 34' ' ' GLU . 44.6 ttt85 -55.2 -37.59 67.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.514 . . . . 0.0 108.587 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -170.38 172.98 5.85 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.471 -0.768 . . . . 0.0 109.745 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.37 -177.33 26.0 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -51.28 -58.75 5.36 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.188 -1.183 . . . . 0.0 108.535 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 169.13 144.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 41.53 46.94 3.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.558 -0.714 . . . . 0.0 111.984 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -138.47 147.44 43.23 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.559 -1.338 . . . . 0.0 107.542 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -97.79 125.13 42.46 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.251 -0.906 . . . . 0.0 112.169 -177.085 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -110.27 159.55 17.31 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -51.04 -41.1 59.64 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.799 -1.188 . . . . 0.0 109.681 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -54.88 -18.48 4.96 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 109.635 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' HB2' HD13 ' A' ' 27' ' ' LEU . 72.5 mt-10 -102.69 -34.42 9.06 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -49.37 56.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.378 -0.826 . . . . 0.0 109.085 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.31 -36.94 74.62 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 50.4 tt0 -76.94 -32.22 57.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.833 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 49.8 tp -73.76 -33.63 64.36 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.922 -1.111 . . . . 0.0 108.708 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.14 -37.71 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.041 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.55 -22.52 47.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.971 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -91.86 -43.89 9.24 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.978 -1.076 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.8 mm-40 -110.28 -61.58 1.64 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.87 -1.144 . . . . 0.0 110.818 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.779 HD21 HD13 ' B' ' 3' ' ' LEU . 3.9 mt -75.11 31.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.9 -1.125 . . . . 0.0 110.258 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' GLU . 23.8 t -85.26 -19.47 31.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.964 -1.085 . . . . 0.0 108.595 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.09 -21.13 21.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.305 -0.872 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -108.97 -32.99 7.04 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.55 129.18 56.61 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.96 140.94 18.96 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.907 -1.12 . . . . 0.0 109.759 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.89 103.54 0.46 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.904 -1.122 . . . . 0.0 109.357 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.85 132.94 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 109.707 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -105.62 -12.97 15.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.54 122.48 38.3 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' VAL . 4.8 pt20 -60.2 -17.08 38.83 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.308 -0.87 . . . . 0.0 109.85 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.97 -40.18 4.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.061 . . . . 0.0 111.278 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.5 p -75.25 -37.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -64.34 -25.16 37.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.45 -34.11 54.58 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -74.33 -55.22 6.26 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -52.08 -43.27 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ASP . 20.2 mmm -62.35 -27.81 69.32 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.55 -38.51 84.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.27 -26.94 38.71 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.823 -0.548 . . . . 0.0 109.92 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.53 -44.19 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.297 -0.877 . . . . 0.0 110.678 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' MET . 53.7 t0 -55.41 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.408 -1.432 . . . . 0.0 109.105 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.21 -38.43 13.47 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.1 p30 -76.01 -4.91 43.79 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.14 45.8 93.52 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -105.0 -4.48 21.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.63 -0.924 . . . . 0.0 110.182 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.16 -3.76 56.91 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -120.88 166.57 13.61 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 69' ' ' ASP . 11.5 m -126.96 92.07 3.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.385 -0.822 . . . . 0.0 110.145 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -53.05 -175.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.65 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -69.63 -28.75 66.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.11 -0.994 . . . . 0.0 110.542 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -68.33 -45.22 73.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 111.701 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.65 -32.56 16.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.379 -1.451 . . . . 0.0 108.775 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -51.77 -45.06 63.63 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.835 -1.165 . . . . 0.0 108.822 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.21 -41.46 90.13 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.07 5.24 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.159 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.27 -52.14 30.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.56 -31.89 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.498 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.661 ' O ' HG23 ' A' ' 82' ' ' THR . 7.4 p -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.791 -1.193 . . . . 0.0 107.836 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.58 -31.63 57.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.686 -0.633 . . . . 0.0 109.5 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.76 -32.03 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -68.84 -38.21 79.67 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 78' ' ' SER . 4.9 p -61.43 -37.49 83.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.57 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.43 70.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.688 -1.257 . . . . 0.0 107.95 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.5 t -53.47 -37.78 62.99 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -73.76 -28.76 61.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -75.08 -49.23 20.35 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.565 -0.71 . . . . 0.0 109.545 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -53.64 -52.31 60.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.109 -0.994 . . . . 0.0 108.991 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.8 t80 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 120.997 -1.064 . . . . 0.0 109.249 179.69 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.483 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 48.2 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.516 0.674 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 40' ' ' LEU . 1.4 mt -73.19 -25.76 60.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 110.253 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -75.58 -31.54 60.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.595 -1.316 . . . . 0.0 109.612 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -63.92 -43.17 96.72 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.12 67.51 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.044 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.7 mtt -53.2 -42.55 66.39 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.321 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.08 -49.01 46.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.126 -0.984 . . . . 0.0 109.783 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 2' ' ' GLU . . . -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.109 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.55 -52.66 7.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.963 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.9 mt -45.6 -31.03 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.166 -0.959 . . . . 0.0 109.538 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 99.5 m-20 -75.76 -49.09 19.18 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.703 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -79.26 -26.43 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.089 -1.007 . . . . 0.0 109.043 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.87 -54.86 9.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 109.235 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -70.46 -31.59 68.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.736 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' B' ' 12' ' ' ASP . 36.1 mm-40 -68.05 -36.85 80.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.842 -1.161 . . . . 0.0 109.996 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.92 -56.74 2.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.035 -1.041 . . . . 0.0 109.217 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.8 m -53.14 -23.23 7.72 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.735 -1.228 . . . . 0.0 108.33 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.77 -3.48 54.99 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -55.05 -37.38 66.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.624 -1.515 . . . . 0.0 108.497 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -170.91 172.81 5.41 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.96 -177.29 25.26 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 36.3 t0 -51.6 -58.19 7.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.151 -1.205 . . . . 0.0 108.575 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 5.4 mmtt 168.65 144.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 41.72 47.08 3.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.631 -0.668 . . . . 0.0 111.868 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -138.79 147.55 42.7 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -98.25 124.79 43.05 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.228 -0.92 . . . . 0.0 112.221 -176.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -109.95 159.7 17.03 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.98 -41.05 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.874 -1.141 . . . . 0.0 109.76 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -55.3 -18.15 5.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.264 -0.897 . . . . 0.0 109.642 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' B' ' 27' ' ' LEU . 71.3 mt-10 -102.67 -34.94 8.87 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -49.73 55.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 109.294 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -69.77 -37.17 76.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.97 -32.22 57.11 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.856 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 50.8 tp -73.51 -33.93 65.02 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.002 -1.061 . . . . 0.0 108.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.85 -38.11 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.426 -0.797 . . . . 0.0 108.997 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -78.22 -22.57 48.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.953 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.16 -43.63 9.24 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.906 -1.121 . . . . 0.0 111.975 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' B' ' 41' ' ' SER . 37.4 mm-40 -110.87 -61.41 1.69 Allowed 'General case' 0 N--CA 1.506 2.365 0 O-C-N 120.83 -1.169 . . . . 0.0 110.722 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 3' ' ' LEU . 3.4 mt -74.6 31.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.911 -1.118 . . . . 0.0 110.201 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' B' ' 39' ' ' GLU . 20.7 t -85.35 -19.41 31.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.694 -1.253 . . . . 0.0 108.658 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.02 -21.32 21.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 109.446 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -108.82 -32.05 7.45 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.19 128.68 56.48 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.07 141.27 18.66 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.983 -1.073 . . . . 0.0 109.677 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.96 103.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 109.478 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 47' ' ' ILE . 6.0 pt -65.88 132.42 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.998 -1.064 . . . . 0.0 109.782 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -105.05 -12.71 16.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -123.81 121.94 36.72 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' B' ' 53' ' ' VAL . 4.7 pt20 -59.47 -17.56 32.36 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.285 -0.885 . . . . 0.0 109.982 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -43.54 -40.18 3.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.101 -0.999 . . . . 0.0 111.322 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.433 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.4 p -75.44 -37.4 37.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.461 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -64.03 -25.4 38.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 106.087 -1.819 . . . . 0.0 106.087 178.391 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.07 -33.69 57.11 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -74.68 -55.28 6.05 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -51.72 -44.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 22.5 mmm -61.87 -27.82 69.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.77 -38.4 83.37 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.39 -27.22 38.19 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.759 -0.588 . . . . 0.0 110.018 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.4 mm? -97.86 -44.11 6.84 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.254 -0.904 . . . . 0.0 110.699 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' B' ' 57' ' ' MET . 53.9 t0 -55.6 99.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.334 -1.479 . . . . 0.0 109.109 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.33 -38.7 13.18 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.2 p30 -75.86 -5.12 44.49 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.62 45.39 94.73 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -104.61 -4.22 22.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.761 -0.847 . . . . 0.0 110.054 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.51 -2.66 57.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -121.24 166.14 14.43 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' B' ' 69' ' ' ASP . 9.9 m -127.35 92.09 3.44 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.273 -0.892 . . . . 0.0 110.155 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -53.0 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -69.7 -29.02 66.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.084 -1.01 . . . . 0.0 110.406 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.8 -45.21 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.999 -1.063 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.9 -32.55 15.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.387 -1.446 . . . . 0.0 108.957 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -51.89 -44.75 63.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.861 -1.15 . . . . 0.0 108.667 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 4.4 ttt -66.19 -41.62 89.98 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.56 -23.14 5.81 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.024 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -68.98 -52.22 31.25 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.38 -32.01 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.472 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 10.8 p -64.45 -30.85 71.88 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.681 -1.262 . . . . 0.0 107.805 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.13 -31.65 58.72 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.655 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.42 -32.9 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -68.19 -38.07 81.59 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.713 HG23 ' O ' ' B' ' 78' ' ' SER . 7.2 p -61.96 -37.47 84.86 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.33 70.27 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.496 -1.377 . . . . 0.0 107.89 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 25.8 t -53.21 -37.68 62.23 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -73.86 -28.74 61.73 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -74.83 -49.43 20.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.631 -0.668 . . . . 0.0 109.382 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -53.42 -52.32 59.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.285 -0.885 . . . . 0.0 109.12 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.5 t80 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.05 -1.031 . . . . 0.0 109.143 179.771 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -84.97 -26.97 26.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.389 -0.82 . . . . 0.0 110.117 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.3 -25.03 46.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.12 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -74.88 -50.54 16.6 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -54.42 46.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.496 -0.752 . . . . 0.0 110.209 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 8.1 mtm -54.67 -36.85 65.05 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.334 -0.854 . . . . 0.0 109.936 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.48 -47.5 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.891 -1.131 . . . . 0.0 108.724 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.14 -36.64 65.99 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.72 -0.612 . . . . 0.0 109.91 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.6 mp -79.91 -49.02 12.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.934 -1.104 . . . . 0.0 111.146 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . 53.3 mt -44.4 -29.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.719 -1.238 . . . . 0.0 109.731 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -79.16 -50.59 10.75 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.116 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -74.33 -27.07 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 109.208 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -73.22 -43.57 61.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.688 -0.632 . . . . 0.0 109.75 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.627 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 3.1 t-160 -78.12 -32.93 50.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.812 -1.18 . . . . 0.0 110.659 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -67.8 -37.61 82.23 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.951 -1.093 . . . . 0.0 110.741 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -86.47 -54.66 4.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.81 -1.181 . . . . 0.0 108.595 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 p -55.52 -21.84 18.64 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 1.78 57.74 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -66.95 -47.03 72.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.921 -1.341 . . . . 0.0 109.26 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.99 151.26 29.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.411 -0.806 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 100.16 -160.06 19.33 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 6.2 t70 -49.52 -93.81 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.448 -1.031 . . . . 0.0 109.115 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 16.6 tptm -171.95 -8.95 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.377 -0.827 . . . . 0.0 109.809 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 12.4 m-70 -142.92 35.02 1.38 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.657 -1.277 . . . . 0.0 111.25 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.28 47.11 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 73' ' ' PHE . 3.8 mp -95.01 138.51 32.64 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.396 1.093 . . . . 0.0 110.511 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.4 mttm -108.84 156.59 19.48 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.526 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 31' ' ' GLU . 47.2 mtmt -44.83 -49.27 10.89 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.997 -1.064 . . . . 0.0 109.204 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -49.8 -15.76 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 0.0 109.051 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 29' ' ' LYS . 39.0 mt-10 -101.63 -47.57 4.59 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.322 -0.861 . . . . 0.0 109.513 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.98 -36.64 84.2 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.325 -0.859 . . . . 0.0 110.077 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.71 -36.72 25.59 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.636 -1.29 . . . . 0.0 108.164 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -77.15 -30.8 55.21 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.021 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.9 tp -72.02 -30.23 64.98 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 47' ' ' ILE . 75.1 mt -76.31 -39.15 34.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.249 -0.907 . . . . 0.0 109.418 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -82.69 -24.22 33.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 110.489 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.57 -44.17 7.62 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.908 -1.12 . . . . 0.0 111.168 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 1.5 mp0 -99.35 -69.53 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.104 -0.997 . . . . 0.0 110.054 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -73.91 38.92 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.041 -1.037 . . . . 0.0 109.325 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -92.91 -19.44 21.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.741 -1.224 . . . . 0.0 110.146 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.77 -20.32 21.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.888 -1.132 . . . . 0.0 108.938 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.6 -39.97 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 80' ' ' VAL . 6.6 tp -101.97 138.18 39.28 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' ILE . 34.8 mt-10 -48.17 132.93 15.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.51 84.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.83 . . . . 0.0 109.886 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -56.25 123.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.951 -1.093 . . . . 0.0 108.59 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -115.07 -16.41 11.62 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -99.68 151.98 20.6 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -93.21 -29.04 15.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.116 -0.99 . . . . 0.0 109.781 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -48.35 -30.92 5.41 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.221 -0.924 . . . . 0.0 110.052 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 53' ' ' VAL . 13.8 p -75.6 -37.98 37.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -67.7 -23.2 29.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.65 -30.82 57.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.9 tptt -83.34 -52.5 6.49 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -46.75 -43.0 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.781 -1.199 . . . . 0.0 108.863 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 6.9 mtt -64.27 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' LYS . 25.1 tt0 -60.98 -32.03 71.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.008 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.9 m -90.17 -33.04 16.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.524 -0.735 . . . . 0.0 109.432 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -89.0 -43.95 10.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.185 -0.947 . . . . 0.0 110.231 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.2 t0 -55.97 96.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.556 -1.34 . . . . 0.0 109.854 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.62 -36.87 14.15 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.9 p-10 -82.01 -3.56 54.76 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.93 45.54 95.44 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' GLU . 53.5 p30 -99.08 -6.04 29.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.477 -1.014 . . . . 0.0 109.554 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . 66.85 -1.25 6.04 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' ASP . 2.3 mp0 -122.96 176.64 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 69' ' ' ASP . 68.8 m -128.01 87.56 2.63 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.264 -0.897 . . . . 0.0 110.333 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 35.6 t70 -52.49 -173.56 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.285 -0.884 . . . . 0.0 108.668 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.689 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.0 OUTLIER -74.66 -30.14 61.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.4 -1.437 . . . . 0.0 111.264 -179.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -70.53 -39.3 74.13 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.746 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 33.0 tt0 -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.918 -1.114 . . . . 0.0 109.115 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 27' ' ' LEU . 4.4 t80 -53.58 -45.1 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.064 -1.023 . . . . 0.0 109.057 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 178.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.55 -20.04 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.558 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -75.23 -51.83 12.37 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.348 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 81' ' ' THR . 78.4 t -54.74 -34.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.009 -1.057 . . . . 0.0 108.556 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 82' ' ' THR . 4.1 t -66.24 -28.95 69.12 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.048 -1.032 . . . . 0.0 108.336 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.8 -31.36 59.4 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.152 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -87.8 -31.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 178.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 30.0 m -69.5 -38.23 77.53 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 78' ' ' SER . 7.7 p -64.45 -39.96 94.81 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.337 -0.852 . . . . 0.0 110.705 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.05 73.07 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.559 -1.338 . . . . 0.0 108.471 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -19.92 53.46 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.392 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.614 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 9.9 t-160 -86.12 -38.43 17.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.291 -0.881 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.33 -24.94 50.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 109.554 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.26 -41.39 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.242 -0.911 . . . . 0.0 109.31 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.6 t80 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.736 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.8 mm? -85.02 -26.93 26.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 0.0 110.116 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -78.41 -25.16 46.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.835 -1.166 . . . . 0.0 109.094 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -74.65 -50.58 17.19 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -54.05 50.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.221 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.412 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.8 mtm -54.88 -36.7 65.41 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.389 -0.82 . . . . 0.0 109.928 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.7 -47.35 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.119 . . . . 0.0 108.73 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.03 -36.79 65.89 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.616 -0.678 . . . . 0.0 110.014 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 11' ' ' ILE . 7.6 mp -79.81 -49.05 12.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 0.0 111.112 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.2 mt -44.31 -28.99 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 120.775 -1.203 . . . . 0.0 109.789 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -79.21 -50.6 10.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.004 . . . . 0.0 109.038 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 -27.08 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.464 -0.772 . . . . 0.0 109.207 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -73.16 -43.58 61.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.571 -0.705 . . . . 0.0 109.682 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.614 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 3.0 t-160 -78.07 -32.96 51.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.839 -1.163 . . . . 0.0 110.651 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.7 -37.65 82.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.787 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.49 -54.77 4.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 0.0 108.534 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -55.31 -22.05 17.26 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.99 1.75 57.91 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -66.84 -47.03 73.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.868 -1.372 . . . . 0.0 109.241 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.98 151.37 29.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 109.452 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 100.01 -159.8 19.45 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 6.2 t70 -49.75 -93.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.411 -1.052 . . . . 0.0 109.137 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.527 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 16.6 tptm -171.77 -8.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.913 . . . . 0.0 109.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 12.8 m-70 -142.76 34.97 1.41 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.682 -1.261 . . . . 0.0 111.411 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.34 47.17 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' B' ' 73' ' ' PHE . 3.8 mp -95.1 138.51 32.71 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 122.412 1.101 . . . . 0.0 110.437 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' B' ' 31' ' ' GLU . 41.6 mttm -109.0 156.5 19.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.492 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' B' ' 31' ' ' GLU . 46.8 mtmt -44.73 -49.46 10.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.921 -1.112 . . . . 0.0 109.166 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -49.6 -15.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.443 -0.786 . . . . 0.0 109.043 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 35' ' ' LEU . 40.1 mt-10 -101.64 -47.62 4.58 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.401 -0.812 . . . . 0.0 109.558 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.18 -36.33 83.29 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.42 -0.8 . . . . 0.0 110.042 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.81 -36.73 25.31 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.601 -1.312 . . . . 0.0 108.132 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.19 -30.69 54.93 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.991 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.2 tp -72.32 -30.29 64.63 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.734 HG21 HD12 ' B' ' 47' ' ' ILE . 74.3 mt -76.04 -39.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.306 -0.872 . . . . 0.0 109.414 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -82.79 -24.34 33.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.063 -1.023 . . . . 0.0 110.422 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.44 -44.36 7.57 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.966 -1.084 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp0 -99.2 -69.46 0.76 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.062 -1.024 . . . . 0.0 110.078 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.97 38.79 0.11 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.83 -19.44 21.72 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.744 -1.222 . . . . 0.0 110.161 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -91.89 -20.2 21.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.968 -1.083 . . . . 0.0 108.925 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 -39.85 5.24 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' B' ' 80' ' ' VAL . 6.6 tp -102.11 138.18 39.39 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 47' ' ' ILE . 34.6 mt-10 -48.2 132.89 15.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.328 -0.858 . . . . 0.0 109.496 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.37 84.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.734 HD12 HG21 ' B' ' 36' ' ' ILE . 6.6 mt -56.21 123.93 8.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 120.998 -1.064 . . . . 0.0 108.59 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.17 -16.23 11.58 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -99.67 151.65 20.97 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -93.18 -28.71 16.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -48.62 -30.85 5.83 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.226 -0.921 . . . . 0.0 109.982 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 53' ' ' VAL . 13.9 p -75.58 -37.89 37.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.435 ' N ' HG13 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -67.74 -23.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.502 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -76.77 -30.8 56.68 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 5.9 tptt -83.13 -52.63 6.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -46.62 -43.14 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.764 -1.21 . . . . 0.0 108.872 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.472 ' O ' ' N ' ' B' ' 61' ' ' ASP . 7.0 mtt -64.25 -31.65 72.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.856 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 24.9 tt0 -61.08 -32.08 71.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.002 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -90.15 -32.93 16.43 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.474 -0.766 . . . . 0.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 60' ' ' LEU . 4.5 mm? -89.14 -43.83 10.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.4 t0 -56.07 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.641 -1.287 . . . . 0.0 109.854 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -90.49 -37.01 14.19 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.3 p-10 -81.95 -3.31 54.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.76 45.54 95.52 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.177 -1.969 . . . . 0.0 108.177 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' B' ' 67' ' ' GLU . 53.7 p30 -99.03 -6.04 29.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -1.045 . . . . 0.0 109.559 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.413 ' O ' ' OE2' ' B' ' 67' ' ' GLU . . . 66.71 -0.9 6.3 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 65' ' ' ASP . 2.4 mp0 -123.1 176.39 6.08 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' B' ' 69' ' ' ASP . 74.8 m -127.87 87.53 2.63 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.262 -0.899 . . . . 0.0 110.345 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 35.6 t70 -52.36 -173.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 108.736 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.693 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -74.58 -30.15 61.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.442 -1.411 . . . . 0.0 111.232 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -70.5 -39.34 74.22 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.23 -0.918 . . . . 0.0 110.687 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 33.3 tt0 -89.44 -35.92 15.74 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.995 -1.066 . . . . 0.0 109.098 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.479 ' CD1' HD22 ' B' ' 27' ' ' LEU . 4.3 t80 -53.57 -45.18 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.031 -1.043 . . . . 0.0 108.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -62.11 -43.4 98.92 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.56 -20.06 1.77 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.593 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -74.96 -52.3 11.51 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.323 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' B' ' 81' ' ' THR . 77.1 t -54.39 -34.51 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 108.68 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 4.4 t -66.37 -29.04 69.13 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.043 -1.036 . . . . 0.0 108.239 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.83 -31.27 59.28 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.114 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -87.9 -31.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 178.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 29.2 m -69.59 -38.24 77.23 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 7.8 p -64.36 -40.05 95.1 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.212 -0.93 . . . . 0.0 110.66 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.9 72.97 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.552 -1.342 . . . . 0.0 108.423 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.16 -19.56 53.74 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.463 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.627 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 10.0 t-160 -86.3 -38.42 17.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 109.543 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.43 -25.05 50.31 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 109.45 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.09 -41.54 73.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.367 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.352 -179.783 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.253 0.549 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.99 -20.19 61.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.898 . . . . 0.0 109.991 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -73.93 -35.48 64.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.709 -1.244 . . . . 0.0 108.811 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.56 72.84 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 108.84 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.34 34.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.584 -0.697 . . . . 0.0 110.15 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 3.5 mtm -50.77 -39.67 53.08 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.098 -1.001 . . . . 0.0 109.631 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.67 -43.62 77.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.094 -1.004 . . . . 0.0 109.386 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.86 73.99 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.444 -0.785 . . . . 0.0 110.239 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -80.15 -48.18 13.57 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.777 -1.202 . . . . 0.0 111.024 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.93 -29.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.719 -1.238 . . . . 0.0 109.893 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.28 -51.51 9.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.54 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.16 -25.73 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 108.899 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.85 -48.35 54.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 1.0 OUTLIER -74.88 -35.73 62.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.076 -1.015 . . . . 0.0 110.701 -178.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.75 -40.02 94.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.871 -1.143 . . . . 0.0 110.15 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 24.2 m-85 -81.12 -53.16 6.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.987 -1.071 . . . . 0.0 108.4 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -56.79 -29.52 62.75 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 5.66 83.56 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -71.34 -51.96 21.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.96 -1.318 . . . . 0.0 109.277 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.27 168.22 24.68 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.305 -0.872 . . . . 0.0 110.606 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.81 -150.18 23.42 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.2 165.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -1.021 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -97.92 -14.77 20.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.456 -0.778 . . . . 0.0 111.096 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -126.61 27.27 6.13 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.678 -1.263 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -136.88 148.81 47.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 73' ' ' PHE . 5.8 mp -93.11 135.14 34.57 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.293 1.044 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.64 151.79 21.2 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' GLU . 38.1 mttm -43.68 -51.12 7.29 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.69 -1.256 . . . . 0.0 109.51 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -48.75 -13.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.424 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LYS . 44.0 mt-10 -101.32 -40.42 7.13 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.439 -0.788 . . . . 0.0 109.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.65 -47.78 68.58 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.267 -0.896 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -72.29 -35.79 68.79 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.604 -1.31 . . . . 0.0 108.686 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -76.26 -31.83 58.51 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.13 -0.981 . . . . 0.0 109.801 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 31.1 tp -69.72 -29.16 66.48 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG23 HD23 ' A' ' 44' ' ' LEU . 70.1 mt -77.4 -38.72 26.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.4 t30 -85.51 -27.75 25.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.085 -1.01 . . . . 0.0 111.626 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -86.73 -46.82 9.66 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.592 -1.317 . . . . 0.0 113.278 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 41' ' ' SER . 5.5 tp10 -110.85 -48.24 3.15 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.682 -1.261 . . . . 0.0 109.638 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -79.78 27.9 0.28 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -85.04 -16.54 40.38 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.477 -0.764 . . . . 0.0 110.889 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.4 -24.12 14.58 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.954 -1.092 . . . . 0.0 110.148 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -50.92 3.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.21 -0.931 . . . . 0.0 108.669 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' HD12 ' A' ' 40' ' ' LEU . 47.2 tp -90.85 140.15 30.08 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.002 . . . . 0.0 108.472 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -48.31 131.47 16.62 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 109.617 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -59.76 89.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 110.003 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -63.5 125.44 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -107.58 -17.79 14.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.547 -0.72 . . . . 0.0 109.296 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.79 148.18 24.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.418 -0.801 . . . . 0.0 109.241 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.21 -28.97 14.76 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 109.73 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.33 -29.4 6.04 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.698 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 53' ' ' VAL . 18.9 m -74.74 -37.36 42.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.44 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.83 -23.09 31.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.97 -34.21 38.83 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -77.66 -52.03 9.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.62 -0.675 . . . . 0.0 109.334 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.0 p -49.53 -42.33 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.5 mmt -55.6 -31.66 62.43 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.4 tp10 -63.21 -36.85 85.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.298 -0.876 . . . . 0.0 109.115 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -81.97 -32.05 30.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.296 -0.877 . . . . 0.0 109.675 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -94.14 -45.08 7.7 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.172 -0.955 . . . . 0.0 110.941 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' MET . 34.5 t0 -55.78 106.69 0.27 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.351 -1.468 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' B' ' 62' ' ' GLU . 32.5 tt0 -89.67 -47.47 7.92 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 4.9 p30 -76.06 -1.81 27.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.52 42.68 90.35 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 32.6 p30 -95.82 -3.57 45.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.709 -0.877 . . . . 0.0 109.905 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.63 9.95 66.21 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -129.35 169.97 14.23 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 30.8 m -127.67 87.55 2.64 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.525 -0.735 . . . . 0.0 109.886 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 68' ' ' CYS . 27.6 t0 -50.47 -175.18 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.737 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -75.16 -30.74 60.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.926 -1.109 . . . . 0.0 110.707 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -71.49 -38.18 71.2 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.937 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 7.0 tt0 -89.75 -38.15 14.03 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.075 -1.016 . . . . 0.0 108.86 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -52.94 -45.94 67.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.853 -1.154 . . . . 0.0 108.427 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -45.22 84.18 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.92 -18.6 1.4 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.496 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -74.95 -55.54 5.66 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.811 -1.18 . . . . 0.0 108.922 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.1 t -55.34 -33.03 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.082 -1.011 . . . . 0.0 108.723 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 82' ' ' THR . 37.7 p -65.27 -34.12 77.59 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.862 0.839 . . . . 0.0 109.245 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.54 -28.42 62.84 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.25 -35.02 9.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.429 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 19.8 m -69.23 -36.37 77.13 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.661 HG21 ' CD1' ' B' ' 70' ' ' PHE . 12.1 p -65.04 -41.05 95.54 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.277 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.35 69.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.447 -1.408 . . . . 0.0 108.639 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.07 -20.4 62.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.531 -0.73 . . . . 0.0 109.183 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 62.1 t60 -105.17 -30.52 9.65 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 109.395 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -75.38 -48.57 22.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.114 -0.991 . . . . 0.0 109.582 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.77 -29.58 63.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 109.541 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.95 -20.15 61.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.255 -0.903 . . . . 0.0 110.041 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -73.89 -35.49 64.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.757 -1.215 . . . . 0.0 108.825 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.59 72.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -55.34 34.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.429 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 3.5 mtm -50.63 -39.85 51.45 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.12 -0.987 . . . . 0.0 109.517 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.71 -43.42 77.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.139 -0.976 . . . . 0.0 109.411 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.84 74.15 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.418 -0.801 . . . . 0.0 110.142 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.6 mp -80.12 -48.24 13.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.828 -1.17 . . . . 0.0 110.96 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.9 -29.09 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -79.23 -51.6 9.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 109.553 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.92 -25.92 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 108.927 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 10' ' ' LEU . 6.3 t80 -70.69 -48.53 54.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.488 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -74.71 -35.91 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.095 -1.003 . . . . 0.0 110.649 -178.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.66 -39.98 94.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.898 -1.126 . . . . 0.0 110.168 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.422 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 24.1 m-85 -81.17 -53.32 6.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.379 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -56.8 -29.43 62.7 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 5.61 83.71 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -71.26 -52.05 21.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.903 -1.351 . . . . 0.0 109.255 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.32 168.03 25.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.31 -0.869 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.94 -149.93 24.6 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.39 166.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 109.669 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -98.1 -14.59 20.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.486 -0.759 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -126.64 27.09 6.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.797 -1.189 . . . . 0.0 111.248 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -136.72 148.83 47.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 73' ' ' PHE . 5.8 mp -93.04 135.03 34.58 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.245 1.021 . . . . 0.0 110.204 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.57 151.97 20.97 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 38.2 mttm -43.8 -51.14 7.55 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.685 -1.259 . . . . 0.0 109.519 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -48.85 -13.46 0.05 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.462 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' LYS . 43.4 mt-10 -101.37 -40.39 7.12 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.564 -0.71 . . . . 0.0 109.477 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.8 -47.44 69.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -72.54 -35.8 68.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.564 -1.335 . . . . 0.0 108.609 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -76.31 -31.69 58.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.093 -1.005 . . . . 0.0 109.85 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 30.7 tp -69.71 -29.38 66.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.442 HG23 HD23 ' B' ' 44' ' ' LEU . 68.8 mt -77.32 -38.78 27.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' B' ' 41' ' ' SER . 1.4 t30 -85.45 -27.69 25.56 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.178 -0.951 . . . . 0.0 111.738 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -86.73 -46.8 9.68 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.584 -1.322 . . . . 0.0 113.343 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' B' ' 41' ' ' SER . 5.5 tp10 -110.86 -48.32 3.14 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.678 -1.263 . . . . 0.0 109.653 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -79.67 27.89 0.28 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.442 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.06 -16.62 40.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.861 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.47 -24.13 14.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.837 -1.164 . . . . 0.0 110.156 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.7 -51.07 3.53 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.307 -0.871 . . . . 0.0 108.705 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.443 ' HB2' HD12 ' B' ' 40' ' ' LEU . 47.3 tp -90.78 140.2 30.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.054 -1.029 . . . . 0.0 108.495 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -48.33 131.59 16.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.711 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -59.85 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.543 -0.723 . . . . 0.0 110.013 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.5 125.58 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -107.65 -17.87 13.98 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.568 -0.708 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.76 148.42 23.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.45 -28.97 14.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.3 -0.875 . . . . 0.0 109.726 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.38 -29.36 6.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.2 -0.938 . . . . 0.0 109.671 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.441 HG23 ' N ' ' B' ' 53' ' ' VAL . 19.4 m -74.81 -37.41 42.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.441 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.76 -23.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -79.93 -34.27 39.0 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.4 OUTLIER -77.56 -52.1 9.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.616 -0.677 . . . . 0.0 109.366 179.343 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -49.5 -42.35 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.519 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.5 mmt -55.57 -31.74 62.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 55' ' ' LYS . 10.4 tp10 -63.15 -36.97 85.37 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.217 -0.927 . . . . 0.0 109.086 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 m -81.99 -31.78 30.94 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 109.717 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.28 -45.27 7.57 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.198 -0.939 . . . . 0.0 110.893 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 34.6 t0 -55.62 106.54 0.26 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.402 -1.437 . . . . 0.0 109.998 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' A' ' 62' ' ' GLU . 30.6 tt0 -89.63 -47.3 8.04 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 4.8 p30 -76.04 -1.83 27.78 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.66 42.45 90.9 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 107.514 -2.235 . . . . 0.0 107.514 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 32.2 p30 -95.58 -3.56 46.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.607 -0.937 . . . . 0.0 109.926 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 9.75 66.17 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -129.0 170.06 13.92 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.477 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 27.5 m -127.71 87.54 2.64 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.517 -0.74 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 68' ' ' CYS . 27.7 t0 -50.49 -175.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.444 -0.785 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.661 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -75.21 -30.85 60.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.884 -1.135 . . . . 0.0 110.689 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -71.45 -38.12 71.33 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 109.949 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 7.1 tt0 -89.83 -38.03 14.05 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.105 -0.997 . . . . 0.0 108.971 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.446 ' CD1' HD22 ' B' ' 27' ' ' LEU . 3.0 t80 -52.98 -46.12 68.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.882 -1.136 . . . . 0.0 108.343 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -45.3 83.47 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.02 -18.5 1.42 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.492 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -74.9 -55.43 5.79 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 108.871 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' B' ' 81' ' ' THR . 75.2 t -55.48 -33.03 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.083 -1.011 . . . . 0.0 108.746 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' B' ' 82' ' ' THR . 38.2 p -65.28 -33.96 77.21 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.754 0.788 . . . . 0.0 109.125 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.71 -28.47 62.69 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.15 -35.19 9.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 18.4 m -69.23 -36.19 76.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.667 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.8 p -65.22 -40.91 94.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.526 -0.87 . . . . 0.0 111.204 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.4 69.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.531 -1.355 . . . . 0.0 108.646 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.09 -20.09 62.38 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.544 -0.722 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.485 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 62.7 t60 -105.27 -30.56 9.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.466 -0.771 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -75.33 -48.81 21.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.069 -1.019 . . . . 0.0 109.486 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -72.51 -29.76 63.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.775 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 t80 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.137 -0.977 . . . . 0.0 109.552 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.495 1.777 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -75.61 -26.72 58.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 110.211 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -76.97 -20.87 55.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.666 -1.271 . . . . 0.0 108.383 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 19.4 mmtt -75.14 -50.6 15.77 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.75 21.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.0 110.956 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtt -52.64 -36.5 56.76 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.559 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.88 -41.13 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.668 -1.27 . . . . 0.0 109.581 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.75 76.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.3 mp -77.82 -45.05 25.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.984 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mm -46.05 -38.52 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.971 -1.081 . . . . 0.0 109.901 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.07 -51.69 17.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.104 -0.997 . . . . 0.0 110.323 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.94 -26.4 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.895 -1.128 . . . . 0.0 108.781 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 31.6 t80 -72.5 -48.79 37.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 109.813 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.494 ' CE1' ' HZ2' ' A' ' 24' ' ' LYS . 3.3 t-160 -78.45 -30.58 47.56 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.012 -1.055 . . . . 0.0 110.71 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -67.55 -40.54 84.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.977 -1.077 . . . . 0.0 110.449 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.11 -52.92 7.54 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 108.975 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' ASP . 21.7 m -56.07 -28.26 56.9 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 1.99 84.45 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -66.65 -50.12 63.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.236 . . . . 0.0 108.617 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -160.24 154.03 22.74 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.63 -136.14 41.69 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 12.7 m-20 -40.3 157.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.973 -0.722 . . . . 0.0 110.174 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HZ2' ' CE1' ' A' ' 15' ' ' HIS . 19.7 tttm -100.07 -25.07 14.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.526 -0.734 . . . . 0.0 110.333 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -133.2 33.1 3.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.196 -0.94 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.23 146.97 49.15 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 73' ' ' PHE . 6.9 mp -100.14 136.17 40.45 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 123.03 1.395 . . . . 0.0 110.999 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 33.3 mttm -106.48 157.42 17.67 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 114.135 -1.393 . . . . 0.0 107.961 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.8 mtmm -43.38 -50.92 6.71 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.324 -0.86 . . . . 0.0 109.49 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.28 -16.08 0.16 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 109.423 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' LYS . 32.1 mt-10 -99.89 -36.71 9.32 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.275 -0.891 . . . . 0.0 109.055 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -51.14 31.41 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.549 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.26 -35.68 73.93 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.036 -1.04 . . . . 0.0 109.66 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -76.75 -31.29 57.0 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.006 -1.058 . . . . 0.0 109.772 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.6 tp -70.45 -39.01 74.56 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.73 -44.44 99.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.302 0.572 . . . . 0.0 109.665 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -81.68 -23.01 37.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.355 -0.841 . . . . 0.0 111.314 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.67 -46.13 11.03 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.587 -1.321 . . . . 0.0 111.69 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 41' ' ' SER . 2.5 mp0 -104.66 -61.18 1.49 Allowed 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.788 -1.195 . . . . 0.0 109.273 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.693 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -74.77 35.76 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.975 -1.078 . . . . 0.0 109.26 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -77.67 -20.1 54.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 108.579 178.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -99.34 -17.75 17.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.295 -0.878 . . . . 0.0 109.193 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.04 -56.5 2.19 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 80' ' ' VAL . 72.9 mt -89.86 129.91 36.17 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.89 140.03 31.9 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.51 106.0 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.907 -1.12 . . . . 0.0 109.782 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 pt -70.69 135.47 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.908 -1.12 . . . . 0.0 109.505 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 48' ' ' LYS . 8.8 mtmp? -103.86 -17.65 14.95 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.36 138.74 52.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.52 -14.71 59.6 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.145 -0.972 . . . . 0.0 109.439 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -46.86 -34.95 5.83 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.969 -1.082 . . . . 0.0 110.413 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.12 -37.98 26.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.519 -1.363 . . . . 0.0 107.72 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -23.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -77.5 -32.26 54.07 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -78.1 -55.5 5.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -49.07 -41.95 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.586 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.3 mmm -60.81 -29.05 69.23 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.0 tp10 -67.65 -38.12 83.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 108.449 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.3 m -78.73 -27.91 44.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.49 -0.756 . . . . 0.0 109.416 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.17 -44.35 6.63 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.265 -0.897 . . . . 0.0 111.328 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 57' ' ' MET . 37.1 t0 -56.06 100.93 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.113 -1.617 . . . . 0.0 110.032 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.75 -41.72 11.1 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 1.1 p30 -77.19 -4.75 46.27 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.07 44.35 97.38 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 67' ' ' GLU . 13.0 p30 -99.94 -5.83 27.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.473 -1.016 . . . . 0.0 109.965 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.23 0.86 17.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 65' ' ' ASP . 49.0 mt-10 -120.89 172.72 7.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 16.0 m -127.42 90.43 3.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.035 -1.041 . . . . 0.0 110.894 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' CYS . 20.4 m-20 -52.77 -174.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.094 -1.004 . . . . 0.0 108.568 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.716 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -73.9 -31.24 63.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.335 -1.478 . . . . 0.0 111.253 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -76.24 -30.31 57.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.075 -1.016 . . . . 0.0 110.734 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.71 -40.51 12.48 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.671 -1.268 . . . . 0.0 109.004 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.0 t80 -58.37 -38.78 77.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.126 0.965 . . . . 0.0 108.581 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 14.7 ttt -77.18 -16.37 59.13 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.87 -22.31 46.21 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.56 -49.8 30.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.74 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 81' ' ' THR . 49.9 t -57.26 -33.31 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.527 -1.358 . . . . 0.0 107.806 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -63.59 -38.0 89.45 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.209 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttt -68.04 -26.31 65.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 44' ' ' LEU . 44.8 t -85.02 -35.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' VAL . 22.2 m -71.63 -36.7 70.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.709 HG21 ' CD1' ' B' ' 70' ' ' PHE . 32.6 p -66.1 -41.02 91.17 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.301 -0.874 . . . . 0.0 110.877 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.681 -1.262 . . . . 0.0 108.006 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.6 m -76.58 -22.13 54.68 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.387 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 45.8 t60 -87.37 -36.45 17.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.92 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.3 -25.19 51.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.0 109.201 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -64.34 -56.12 16.58 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.25 -0.906 . . . . 0.0 109.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.495 1.777 0 O-C-N 120.933 -1.104 . . . . 0.0 109.507 -179.785 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -75.23 -26.53 58.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.621 -0.674 . . . . 0.0 110.359 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -76.65 -21.0 56.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.855 -1.153 . . . . 0.0 108.409 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -75.34 -50.6 15.49 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.44 34.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 111.148 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.13 -36.53 60.9 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 110.454 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -76.54 -42.09 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.899 -1.126 . . . . 0.0 109.594 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.74 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.612 -0.68 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -77.68 -45.27 25.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.825 -1.172 . . . . 0.0 109.896 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -46.08 -37.94 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.935 -1.103 . . . . 0.0 109.868 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.5 -51.93 15.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.931 -1.105 . . . . 0.0 110.315 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.82 -26.66 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 108.691 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 10' ' ' LEU . 29.9 t80 -71.67 -49.53 38.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.342 -0.849 . . . . 0.0 109.725 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.455 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 3.3 t-160 -78.19 -30.67 49.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.143 -0.973 . . . . 0.0 110.821 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -67.31 -40.07 85.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.933 -1.104 . . . . 0.0 110.133 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -79.6 -52.92 7.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.48 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.1 m -56.04 -28.38 57.19 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.01 1.76 85.12 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.21 -50.05 62.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.05 -1.264 . . . . 0.0 108.681 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -159.46 154.83 25.49 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.09 -135.65 45.91 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 13.5 m-20 -40.33 158.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.872 -0.781 . . . . 0.0 110.32 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' B' ' 15' ' ' HIS . 18.2 tttm -100.79 -23.55 14.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.664 -0.647 . . . . 0.0 110.145 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -134.63 32.65 3.29 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.842 -1.161 . . . . 0.0 110.646 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 146.93 49.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 73' ' ' PHE . 6.7 mp -100.53 136.58 40.19 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 122.815 1.293 . . . . 0.0 110.789 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.6 mttm -107.07 158.2 17.24 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.974 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 31' ' ' GLU . 29.6 mtmm -43.93 -50.48 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -48.75 -16.61 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.54 -0.725 . . . . 0.0 109.414 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 30.1 mt-10 -99.84 -37.49 9.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.256 -0.902 . . . . 0.0 108.898 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.79 -51.16 36.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.185 -0.947 . . . . 0.0 109.827 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.01 -35.95 74.75 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.025 -1.047 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.06 -31.05 55.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.085 -1.01 . . . . 0.0 110.047 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 20.4 tp -70.05 -39.4 75.73 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.62 -44.9 99.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.015 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -81.21 -23.03 38.4 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 111.358 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.34 -46.0 11.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.619 -1.3 . . . . 0.0 111.548 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 41' ' ' SER . 2.9 mp0 -105.44 -60.64 1.59 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.802 -1.186 . . . . 0.0 109.402 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.668 HD22 ' H ' ' B' ' 40' ' ' LEU . 1.9 mm? -74.83 35.44 0.1 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.155 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -77.78 -19.88 54.28 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.955 . . . . 0.0 108.704 178.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -98.69 -19.53 17.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.223 -0.923 . . . . 0.0 109.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.02 -55.59 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.451 HD21 HG13 ' B' ' 80' ' ' VAL . 73.7 mt -90.8 129.8 36.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.223 -0.923 . . . . 0.0 108.891 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.04 139.4 28.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -66.48 106.46 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.924 -1.11 . . . . 0.0 109.638 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.407 HD13 HG21 ' B' ' 47' ' ' ILE . 6.7 pt -71.39 135.33 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.837 -1.164 . . . . 0.0 109.498 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 9.0 mtmp? -103.59 -17.47 15.15 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -118.37 138.12 52.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -76.88 -14.87 59.84 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 109.619 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -47.1 -34.54 6.06 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.028 -1.045 . . . . 0.0 110.24 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 m -77.43 -37.74 25.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.562 -1.336 . . . . 0.0 107.59 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -23.57 32.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 178.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.8 -33.02 52.72 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -77.57 -55.45 5.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.7 p -48.93 -42.43 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.581 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.3 mmm -60.14 -29.48 68.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 55' ' ' LYS . 7.0 tp10 -67.31 -38.11 84.44 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.133 -0.979 . . . . 0.0 108.503 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.6 m -78.95 -27.7 43.6 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.34 -44.18 6.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.244 -0.91 . . . . 0.0 111.193 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.6 t0 -55.98 100.44 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 119.976 -1.703 . . . . 0.0 110.016 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.8 -41.71 11.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 1.1 p30 -76.6 -4.03 40.82 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.26 44.06 96.77 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.403 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 15.5 p30 -100.02 -5.48 28.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.391 -1.064 . . . . 0.0 110.016 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.22 0.91 17.86 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -121.23 173.72 7.14 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.581 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 21.7 m -128.01 90.25 3.06 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.219 -0.925 . . . . 0.0 110.898 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 68' ' ' CYS . 19.3 m-20 -52.73 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 0.0 108.51 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.4 p90 -73.2 -31.65 64.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.562 -1.336 . . . . 0.0 111.292 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -75.74 -30.84 59.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.909 -1.119 . . . . 0.0 110.676 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -89.92 -40.1 12.6 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.703 -1.248 . . . . 0.0 108.965 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.1 t80 -58.13 -38.93 77.46 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 12.8 ttt -77.16 -16.41 59.14 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.6 46.3 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.31 -49.62 33.1 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.523 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 81' ' ' THR . 47.8 t -57.68 -32.75 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.641 -1.287 . . . . 0.0 107.891 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -63.85 -38.24 90.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.8 ttt -67.71 -26.73 66.31 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.451 HG13 HD21 ' B' ' 44' ' ' LEU . 53.7 t -84.99 -35.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 77' ' ' VAL . 18.1 m -71.81 -36.45 70.25 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.716 HG21 ' CD1' ' A' ' 70' ' ' PHE . 32.1 p -66.11 -40.34 90.66 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.133 -0.979 . . . . 0.0 110.887 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.51 69.84 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.711 -1.243 . . . . 0.0 107.814 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 66.5 m -77.12 -21.47 54.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.233 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.457 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 44.2 t60 -87.46 -36.83 17.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.184 -0.948 . . . . 0.0 109.163 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.8 -25.11 48.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.392 -0.818 . . . . 0.0 109.386 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.07 -55.64 20.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.799 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.652 HD12 HD21 ' B' ' 40' ' ' LEU . 62.5 mt -72.81 -16.57 61.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.931 -1.106 . . . . 0.0 110.178 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.57 -32.06 60.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.606 -1.308 . . . . 0.0 107.695 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.58 -44.73 77.49 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.38 79.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 109.799 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -54.97 -41.37 71.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.35 -0.843 . . . . 0.0 109.845 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.91 -43.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.634 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.76 -32.1 73.17 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -79.94 -49.54 11.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HD1' ' B' ' 85' ' ' HIS . 51.7 mt -46.79 -30.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.919 -1.113 . . . . 0.0 109.426 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -75.24 -51.5 13.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.69 -26.71 18.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.36 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 8.2 t80 -72.37 -46.76 53.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.95 . . . . 0.0 109.577 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 5.7 t-80 -75.87 -32.82 59.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.941 . . . . 0.0 110.525 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.13 -38.39 85.47 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.964 -1.085 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 34.4 m-85 -90.16 -59.67 2.13 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.003 -1.061 . . . . 0.0 109.325 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m -51.62 -25.16 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.157 -0.964 . . . . 0.0 108.628 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.72 -0.39 55.3 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 34' ' ' GLU . 21.3 ttt85 -58.42 -40.57 82.84 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.668 -1.489 . . . . 0.0 108.908 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.02 165.08 37.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.481 -0.762 . . . . 0.0 109.985 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -161.9 23.35 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -46.86 -81.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.474 -1.016 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 3.5 tmtm? -172.97 -8.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 109.063 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 16.8 m-70 -155.52 46.94 0.5 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.079 -1.013 . . . . 0.0 110.181 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -127.1 144.98 50.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.033 -1.042 . . . . 0.0 108.429 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -95.73 124.97 39.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.191 -0.943 . . . . 0.0 110.704 -178.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -111.38 156.33 21.77 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.4 ttpp -46.59 -47.64 19.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.805 -1.184 . . . . 0.0 110.402 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -46.46 -12.46 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 0.0 110.758 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.3 mt-10 -101.14 -36.91 8.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.15 -0.969 . . . . 0.0 108.388 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.728 HD12 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -60.0 -58.39 8.76 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 109.082 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.39 -34.44 77.97 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.238 -0.913 . . . . 0.0 109.649 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 20' ' ' ARG . 65.7 tt0 -78.36 -34.75 48.2 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.101 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.0 tp -71.21 -32.81 69.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.202 -0.936 . . . . 0.0 108.996 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -75.05 -36.23 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.655 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 37' ' ' ASN . 2.7 m120 -82.09 -23.35 35.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.7 -44.14 7.24 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.061 -1.024 . . . . 0.0 111.86 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -103.52 -63.98 1.13 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.002 -1.061 . . . . 0.0 110.416 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 HD12 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -76.8 37.04 0.17 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 -179.444 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -21.9 20.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.924 -1.11 . . . . 0.0 109.507 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -91.31 -22.51 20.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -49.73 3.68 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' LEU . 6.3 mp -102.66 130.03 49.45 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.85 141.78 16.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.873 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.82 104.5 2.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.286 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.9 pt -57.57 138.82 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.969 -1.082 . . . . 0.0 109.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -104.84 -17.85 14.43 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.43 139.01 52.07 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' ASP . 2.6 pt20 -76.01 -18.89 59.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -42.14 -40.46 2.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.111 -0.993 . . . . 0.0 111.287 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.4 -36.91 37.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.672 -1.268 . . . . 0.0 108.03 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.728 ' CG2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.63 -23.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 178.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 m-20 -76.08 -33.07 59.54 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.54 17.85 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -40.05 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.826 -1.172 . . . . 0.0 108.357 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.6 mtt -64.54 -36.08 83.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.449 -0.782 . . . . 0.0 109.234 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -62.99 -29.3 70.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 108.989 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.8 m -87.79 -31.43 19.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.522 -0.736 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.1 mm? -95.18 -44.53 7.59 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.134 -0.979 . . . . 0.0 110.765 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' MET . 1.4 m-20 -55.37 111.45 0.88 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.491 -1.38 . . . . 0.0 110.262 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.07 -42.52 16.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 11.9 p30 -83.18 -1.91 54.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.86 43.54 94.71 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 107.604 -2.198 . . . . 0.0 107.604 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -95.37 -4.66 44.91 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.633 -0.922 . . . . 0.0 109.933 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 71.73 5.83 61.69 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.923 -2.071 . . . . 0.0 107.923 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -129.43 163.27 26.19 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' ASP . 3.3 m -127.24 98.63 5.35 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.325 -0.859 . . . . 0.0 111.163 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 18.8 t0 -53.91 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -77.16 -36.88 54.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.17 -1.582 . . . . 0.0 110.903 -179.01 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' OE1' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.1 -28.84 62.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.838 -1.164 . . . . 0.0 109.601 -178.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.1 tt0 -89.9 -42.88 10.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -51.89 -42.77 62.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 108.829 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.43 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -43.77 98.19 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.71 -19.32 2.32 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.553 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -74.92 -55.37 5.85 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.311 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.2 t -55.53 -32.13 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.944 -1.097 . . . . 0.0 108.104 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 82' ' ' THR . 12.9 t -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.71 -32.07 57.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.783 -0.573 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -33.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.0 m -67.87 -38.82 83.58 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 78' ' ' SER . 7.4 p -61.34 -40.04 92.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.922 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.22 91.83 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.726 -1.234 . . . . 0.0 108.27 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.9 t -63.13 -24.77 68.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.646 -0.822 . . . . 0.0 108.957 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.555 ' HD1' HG23 ' B' ' 11' ' ' ILE . 65.4 t60 -96.35 -32.9 12.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.382 -0.824 . . . . 0.0 109.529 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -78.88 -43.76 24.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.62 -40.3 78.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.081 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.875 . . . . 0.0 109.459 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 40' ' ' LEU . 63.9 mt -72.83 -16.59 61.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.112 . . . . 0.0 110.169 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.54 -32.1 60.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.56 -1.337 . . . . 0.0 107.707 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.57 -44.51 78.03 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.18 79.16 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -55.06 -41.43 71.47 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 109.711 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.77 -43.6 40.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 109.645 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.93 73.11 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.302 -0.874 . . . . 0.0 109.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.421 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -79.98 -49.51 11.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.003 -1.06 . . . . 0.0 110.562 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.555 HG23 ' HD1' ' A' ' 85' ' ' HIS . 52.9 mt -46.81 -30.76 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.837 -1.164 . . . . 0.0 109.45 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -75.13 -51.59 13.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 0.0 109.443 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.62 -26.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.163 -0.961 . . . . 0.0 109.318 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -72.18 -46.89 54.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 109.571 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.496 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 5.6 t-80 -75.97 -32.73 59.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.136 -0.978 . . . . 0.0 110.526 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.21 -38.41 85.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.003 -1.061 . . . . 0.0 109.793 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 34.6 m-85 -90.13 -59.68 2.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.346 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -51.42 -25.33 6.09 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.213 -0.929 . . . . 0.0 108.659 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.33 55.37 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' ' OE2' ' B' ' 34' ' ' GLU . 21.3 ttt85 -58.45 -40.54 82.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.727 -1.455 . . . . 0.0 108.96 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.0 165.1 37.1 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.486 -0.759 . . . . 0.0 110.031 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.27 -161.93 23.47 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -46.82 -81.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.394 -1.062 . . . . 0.0 109.292 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.469 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 3.6 tmtm? -172.91 -8.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.035 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 17.4 m-70 -155.59 46.93 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 110.227 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -127.16 145.0 50.91 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.098 -1.002 . . . . 0.0 108.378 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.415 HD22 ' OE2' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -95.79 125.02 40.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.276 -0.89 . . . . 0.0 110.738 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -111.36 156.2 21.94 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.4 ttpp -46.56 -47.61 19.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 110.307 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.0 m -46.36 -12.56 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.158 -0.964 . . . . 0.0 110.797 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' LYS . 6.4 mt-10 -101.22 -36.74 8.81 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.714 HD12 ' CG2' ' B' ' 53' ' ' VAL . 0.2 OUTLIER -60.13 -58.4 8.69 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.349 -0.845 . . . . 0.0 109.031 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.31 -34.36 77.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.001 . . . . 0.0 109.779 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' B' ' 20' ' ' ARG . 65.9 tt0 -78.52 -34.65 47.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.966 . . . . 0.0 110.049 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' B' ' 31' ' ' GLU . 54.6 tp -71.29 -32.72 68.99 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 108.967 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -75.02 -36.35 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.46 ' N ' HD22 ' B' ' 37' ' ' ASN . 2.7 m120 -82.18 -23.26 35.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.274 -0.891 . . . . 0.0 110.755 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.68 -44.22 7.21 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.088 -1.008 . . . . 0.0 111.779 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -103.52 -63.92 1.14 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.903 -1.123 . . . . 0.0 110.429 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -76.88 37.16 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.53 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.98 -21.68 20.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.8 -1.188 . . . . 0.0 109.537 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -91.37 -22.62 20.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 108.95 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.09 -49.66 3.7 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.2 mp -102.79 130.08 49.66 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.76 141.54 16.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.118 -0.989 . . . . 0.0 108.96 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.61 104.46 2.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 47' ' ' ILE . 30.4 pt -57.59 138.89 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.941 -1.099 . . . . 0.0 109.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -104.96 -17.71 14.43 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.54 139.1 51.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' B' ' 53' ' ' VAL . 2.6 pt20 -76.21 -18.82 58.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.883 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 50' ' ' GLN . 68.2 tt0 -42.13 -40.38 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.14 -0.975 . . . . 0.0 111.221 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 m -75.52 -36.98 36.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 120.674 -1.266 . . . . 0.0 108.004 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.714 ' CG2' HD12 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -68.5 -23.71 28.44 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' B' ' 50' ' ' GLN . 6.5 m-20 -76.21 -33.03 59.26 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.48 17.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -40.15 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.708 -1.245 . . . . 0.0 108.385 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.423 ' O ' ' N ' ' B' ' 61' ' ' ASP . 14.8 mtt -64.4 -36.31 83.73 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.458 -0.776 . . . . 0.0 109.218 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.86 -29.37 70.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -0.905 . . . . 0.0 108.925 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 57.6 m -87.82 -31.31 19.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.513 -0.742 . . . . 0.0 109.706 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.2 -44.66 7.52 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.057 -1.027 . . . . 0.0 110.732 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 1.4 m-20 -55.43 111.53 0.9 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.496 -1.377 . . . . 0.0 110.216 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -84.02 -42.58 16.03 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 11.8 p30 -83.11 -1.93 54.11 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.84 43.49 94.7 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 107.578 -2.209 . . . . 0.0 107.578 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 39.5 p-10 -95.3 -4.85 44.83 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.68 -0.894 . . . . 0.0 109.924 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.412 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 71.9 5.72 62.06 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.41 163.32 26.08 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 3.3 m -127.26 98.65 5.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.366 -0.834 . . . . 0.0 111.254 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CE1' ' B' ' 70' ' ' PHE . 18.9 t0 -53.8 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -77.2 -36.81 54.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.256 -1.528 . . . . 0.0 110.941 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -73.16 -28.94 62.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.901 -1.124 . . . . 0.0 109.572 -178.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 20.1 tt0 -89.66 -43.02 11.02 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.88 -42.72 62.9 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.177 -0.952 . . . . 0.0 108.868 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.421 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.85 -43.85 98.01 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.73 -19.34 2.36 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.487 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -74.83 -55.37 5.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.94 -1.1 . . . . 0.0 108.333 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.57 -32.18 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.772 ' O ' HG23 ' B' ' 82' ' ' THR . 12.3 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.75 -32.07 57.52 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.763 -0.586 . . . . 0.0 109.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -33.39 7.13 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -67.95 -38.93 83.42 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.772 HG23 ' O ' ' B' ' 78' ' ' SER . 7.5 p -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.919 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.13 91.73 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.817 -1.177 . . . . 0.0 108.366 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 t -63.21 -24.82 68.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.655 -0.818 . . . . 0.0 108.944 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.552 ' HD1' HG23 ' A' ' 11' ' ' ILE . 65.3 t60 -96.27 -32.94 12.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 82' ' ' THR . 39.3 tt0 -78.96 -43.68 24.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.64 -40.33 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.371 -0.831 . . . . 0.0 109.098 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.819 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 17.2 mp0 . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.505 HD23 HG21 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -71.96 -21.87 61.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -75.85 -33.86 60.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.929 -1.107 . . . . 0.0 109.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -70.02 -45.3 67.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.32 29.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 110.105 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt -50.33 -39.96 47.54 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 109.655 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -72.95 -42.91 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.332 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.06 76.16 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.917 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 9.8 mp -80.21 -47.96 13.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.928 -1.107 . . . . 0.0 110.778 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.4 mt -44.79 -28.56 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.873 -1.142 . . . . 0.0 109.616 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.81 -51.25 9.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.961 . . . . 0.0 109.29 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG21 HD23 ' B' ' 3' ' ' LEU . 20.8 t -74.19 -26.21 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.69 -45.4 62.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.512 -0.743 . . . . 0.0 109.835 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.03 -35.02 50.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.891 -1.131 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.89 -40.45 83.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.103 -0.998 . . . . 0.0 110.616 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -87.63 -57.18 3.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.879 -1.138 . . . . 0.0 109.241 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 4.5 t -53.36 -21.55 5.97 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.779 -1.2 . . . . 0.0 107.817 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.09 1.35 54.79 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.87 -42.48 89.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.8 -1.412 . . . . 0.0 108.338 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -150.86 170.23 19.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 -163.73 26.83 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -51.06 -69.54 0.11 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -1.224 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' ' H ' ' A' ' 25' ' ' HIS . 29.6 tttt -171.92 -8.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 0.0 109.308 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' H ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.0 109.697 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' N ' ' OG ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -135.81 141.41 44.72 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.238 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 tt -92.49 119.47 32.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.379 -1.451 . . . . 0.0 110.311 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.2 mttm -108.71 151.39 26.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpt -43.39 -50.7 6.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.129 -0.982 . . . . 0.0 109.937 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.36 -12.58 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 109.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 58.5 mt-10 -99.07 -38.99 8.73 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -61.52 2.2 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.677 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.54 -35.44 74.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.752 -1.217 . . . . 0.0 110.09 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.62 -33.42 58.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.961 -1.087 . . . . 0.0 109.439 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' GLU . 45.4 tp -73.82 -32.26 63.63 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.639 HG21 HD12 ' A' ' 47' ' ' ILE . 1.2 mm -65.95 -42.24 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.422 -0.798 . . . . 0.0 109.344 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.79 -22.19 40.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.643 -0.66 . . . . 0.0 112.125 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.58 -23.29 17.71 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.502 -1.374 . . . . 0.0 112.787 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' OE2' HG13 ' A' ' 13' ' ' VAL . 50.9 mt-10 -130.57 -50.32 1.07 Allowed 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.839 -1.163 . . . . 0.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 28.13 0.55 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -81.63 -17.14 49.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.823 -1.173 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -98.12 -16.47 19.53 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.993 -1.067 . . . . 0.0 109.562 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.18 -33.53 6.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.586 -0.696 . . . . 0.0 109.422 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 132.72 49.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' ILE . 25.3 mp0 -49.78 135.58 19.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.81 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.739 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 36' ' ' ILE . 19.0 mt -69.55 123.74 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -120.14 -15.11 8.76 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -105.85 139.4 40.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' HG2' ' H ' ' A' ' 50' ' ' GLN . 7.5 pt20 -79.71 -23.42 42.38 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.14 -38.5 5.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 111.03 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 53' ' ' VAL . 20.3 m -74.99 -38.45 43.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -63.48 -24.88 37.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -77.98 -35.77 49.77 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -50.38 13.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.464 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.4 p -53.18 -41.04 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.601 -1.312 . . . . 0.0 108.007 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 13.3 mmm -64.85 -33.84 76.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.682 -0.637 . . . . 0.0 109.556 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -64.32 -36.55 84.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.092 -1.005 . . . . 0.0 109.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -80.45 -31.18 37.49 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.356 -0.84 . . . . 0.0 109.539 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.2 mm? -91.31 -43.59 9.7 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.216 -0.928 . . . . 0.0 111.045 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.04 111.66 0.89 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.364 -1.46 . . . . 0.0 110.019 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 62' ' ' GLU . 2.3 tm-20 -86.82 -43.09 12.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 2.9 p30 -82.97 -1.64 53.01 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.74 42.83 91.75 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 107.441 -2.264 . . . . 0.0 107.441 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 42.6 p-10 -92.97 -5.17 51.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.886 . . . . 0.0 109.809 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.42 0.78 48.83 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 90.7 mt-10 -127.56 163.19 24.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 91.3 m -127.4 101.5 6.48 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.351 -0.843 . . . . 0.0 111.865 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 8.1 t70 -55.84 -169.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -78.72 -32.81 46.98 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.048 -1.033 . . . . 0.0 110.928 -179.205 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -69.33 -38.65 78.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.13 -0.981 . . . . 0.0 110.238 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.4 tt0 -88.36 -39.1 14.59 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.198 -0.939 . . . . 0.0 109.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.2 t80 -53.75 -42.52 68.29 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.932 -1.105 . . . . 0.0 109.143 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -63.37 -41.9 98.84 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.81 -24.71 3.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.145 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.37 -48.45 41.6 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 118.888 -1.125 . . . . 0.0 108.29 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -55.89 -35.92 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 82' ' ' THR . 7.1 t -65.39 -33.86 76.96 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.936 0.874 . . . . 0.0 108.991 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.48 -27.97 61.68 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.04 -35.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -66.97 -38.41 86.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 78' ' ' SER . 16.2 p -62.5 -43.53 98.59 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.178 -0.951 . . . . 0.0 110.173 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.92 -35.35 58.25 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.311 -1.493 . . . . 0.0 108.294 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.68 -13.89 62.25 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.461 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 82' ' ' THR . 9.1 t-160 -98.27 -37.55 9.62 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.43 -0.794 . . . . 0.0 109.533 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -75.0 -45.24 43.29 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.919 -1.113 . . . . 0.0 108.823 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.41 -51.4 35.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.575 -0.703 . . . . 0.0 109.512 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.6 t80 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.705 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' B' ' 2' ' ' GLU . 17.7 mp0 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 121.498 0.666 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -71.9 -21.98 61.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 110.054 -179.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -75.8 -33.81 60.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.944 -1.098 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -70.09 -45.24 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 0.0 109.257 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.37 29.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.8 mtt -50.47 -39.81 49.1 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.316 -0.865 . . . . 0.0 109.625 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 37.9 t -73.07 -42.93 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.071 -1.018 . . . . 0.0 109.409 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.08 75.96 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.54 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 9.8 mp -80.25 -48.01 13.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.806 -1.184 . . . . 0.0 110.693 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.5 mt -44.73 -28.43 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.771 -1.206 . . . . 0.0 109.682 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.08 -51.15 9.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.505 HG21 HD23 ' A' ' 3' ' ' LEU . 19.2 t -74.15 -26.21 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 109.115 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.66 -45.33 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.07 -35.32 49.66 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.989 -1.069 . . . . 0.0 110.341 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.58 -40.65 84.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.586 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -87.44 -57.32 2.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.756 -1.215 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 4.3 t -53.35 -21.37 5.65 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.78 -1.2 . . . . 0.0 107.836 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.19 1.29 54.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.92 -42.43 89.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.742 -1.446 . . . . 0.0 108.368 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -150.64 170.45 19.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.603 -0.685 . . . . 0.0 109.205 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.04 -163.82 26.99 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -51.09 -69.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 109.279 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' B' ' 25' ' ' HIS . 29.2 tttt -171.93 -8.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.264 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.409 ' H ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.14 0.19 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.241 -0.912 . . . . 0.0 109.63 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.421 ' N ' ' OG ' ' B' ' 18' ' ' SER . 0.5 OUTLIER -135.79 141.36 44.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' CG ' ' B' ' 73' ' ' PHE . 6.7 tt -92.61 119.44 32.05 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.395 -1.441 . . . . 0.0 110.276 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.431 ' N ' HD23 ' B' ' 27' ' ' LEU . 63.6 mttm -108.66 151.32 26.32 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' B' ' 31' ' ' GLU . 24.0 ttpt -43.56 -50.43 7.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.189 -0.944 . . . . 0.0 109.908 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.55 -12.58 0.1 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.196 -0.94 . . . . 0.0 109.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 58.9 mt-10 -99.04 -38.86 8.79 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.41 -61.3 2.31 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.707 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -59.74 -35.3 74.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.722 -1.236 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.75 -33.3 58.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.87 -1.144 . . . . 0.0 109.44 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 45.6 tp -73.85 -32.5 63.69 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.627 HG21 HD12 ' B' ' 47' ' ' ILE . 1.2 mm -65.71 -42.21 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.451 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.8 -22.28 40.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.608 -0.682 . . . . 0.0 112.152 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.57 -23.34 17.7 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.471 -1.393 . . . . 0.0 112.828 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.434 ' OE2' HG13 ' B' ' 13' ' ' VAL . 50.1 mt-10 -130.49 -50.31 1.07 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.905 -1.122 . . . . 0.0 110.039 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 28.1 0.56 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -81.58 -17.24 49.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.848 -1.158 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -98.11 -16.45 19.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.94 -1.1 . . . . 0.0 109.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.22 -33.43 6.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 0.0 109.47 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.98 132.79 49.89 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' B' ' 47' ' ' ILE . 25.0 mp0 -49.82 135.75 19.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.078 -1.013 . . . . 0.0 109.218 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.92 90.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.42 -0.8 . . . . 0.0 109.743 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.627 HD12 HG21 ' B' ' 36' ' ' ILE . 18.8 mt -69.64 123.71 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.124 -0.985 . . . . 0.0 108.497 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -120.09 -15.13 8.78 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.93 139.13 40.95 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' B' ' 50' ' ' GLN . 7.5 pt20 -79.39 -23.62 43.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.0 -38.62 4.9 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 111.039 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 53' ' ' VAL . 20.5 m -74.95 -38.37 43.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.605 -1.309 . . . . 0.0 107.508 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.461 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -63.62 -24.85 36.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.86 -35.88 50.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.46 13.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.373 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -53.19 -41.09 41.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.724 -1.235 . . . . 0.0 107.975 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' B' ' 53' ' ' VAL . 13.9 mmm -64.94 -33.76 76.79 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.596 -0.69 . . . . 0.0 109.643 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.35 -36.5 84.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.168 -0.957 . . . . 0.0 109.099 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.1 m -80.52 -30.98 37.18 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.606 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.35 -43.69 9.61 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.144 -0.973 . . . . 0.0 110.894 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.0 111.6 0.87 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.407 -1.433 . . . . 0.0 110.08 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' B' ' 62' ' ' GLU . 2.2 tm-20 -86.92 -42.98 12.75 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.03 -1.53 52.91 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.79 42.59 91.78 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 107.435 -2.266 . . . . 0.0 107.435 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.8 p-10 -92.93 -5.24 51.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.661 -0.906 . . . . 0.0 109.894 -178.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.8 0.43 49.92 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 90.2 mt-10 -127.63 163.22 24.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 88.8 m -127.46 101.43 6.43 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.851 . . . . 0.0 111.829 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 8.1 t70 -55.85 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -78.5 -32.93 48.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.981 -1.074 . . . . 0.0 111.005 -179.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.32 -38.55 78.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.287 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 15.5 tt0 -88.43 -39.18 14.45 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.189 -0.944 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.567 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.3 t80 -53.7 -42.68 68.28 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.918 -1.114 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -63.19 -41.94 99.27 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 178.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.74 -24.93 3.78 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.15 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.37 -48.33 42.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.885 -1.134 . . . . 0.0 108.286 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.87 -35.73 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -65.63 -33.72 76.56 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.873 0.844 . . . . 0.0 109.011 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.56 -27.85 61.54 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -87.01 -35.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.5 m -66.97 -38.4 86.0 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' SER . 16.2 p -62.59 -43.4 98.89 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.174 -0.954 . . . . 0.0 110.174 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.59 57.03 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.356 -1.465 . . . . 0.0 108.239 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.57 -13.9 62.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.522 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' B' ' 82' ' ' THR . 9.0 t-160 -98.24 -37.69 9.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.447 -0.783 . . . . 0.0 109.489 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -74.93 -45.12 44.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.895 -1.128 . . . . 0.0 108.872 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.45 -51.49 35.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.642 -0.661 . . . . 0.0 109.516 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.624 -179.791 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.75 -27.32 40.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.055 -1.028 . . . . 0.0 109.196 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -75.01 -29.26 60.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.859 -1.15 . . . . 0.0 108.913 179.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -69.42 -46.49 66.68 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -54.75 35.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.473 -0.767 . . . . 0.0 110.438 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.467 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 7.3 mtm -52.96 -37.73 61.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -75.82 -42.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.958 -1.089 . . . . 0.0 108.91 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.21 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.253 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.26 -48.84 12.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.715 -1.241 . . . . 0.0 110.867 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.32 -28.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.847 -1.158 . . . . 0.0 109.536 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.28 -51.66 9.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 109.566 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -76.11 -27.05 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.067 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 25' ' ' HIS . 3.1 t80 -73.22 -43.08 61.86 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.126 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -78.04 -29.79 49.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.928 -1.108 . . . . 0.0 110.857 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -67.15 -34.33 77.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.905 -1.122 . . . . 0.0 110.282 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 29.5 m-85 -90.67 -56.58 3.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 108.802 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 3.3 t -53.37 -21.73 6.31 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.135 -0.978 . . . . 0.0 108.527 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.73 -1.9 56.32 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -60.84 -43.49 98.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.928 -1.337 . . . . 0.0 109.197 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 4.8 pt-20 -164.25 173.86 11.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -162.19 25.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.76 -82.75 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.252 -1.146 . . . . 0.0 109.521 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -171.31 -9.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.294 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' CE1' ' CE1' ' B' ' 85' ' ' HIS . 1.9 t60 -160.24 53.23 0.33 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.628 -1.295 . . . . 0.0 110.723 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' N ' ' OG ' ' A' ' 18' ' ' SER . 1.5 tppp? -136.78 147.94 46.93 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 1.8 tt -87.05 125.81 34.35 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.893 -1.129 . . . . 0.0 109.822 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -102.99 146.7 27.94 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.9 mtmt -47.17 -46.9 24.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.372 -1.455 . . . . 0.0 109.107 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -49.33 -14.03 0.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.102 -0.999 . . . . 0.0 108.977 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 88.6 mt-10 -101.93 -36.6 8.57 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -47.69 70.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.82 -1.175 . . . . 0.0 108.922 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -69.81 -37.5 76.27 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.39 -33.74 48.6 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.228 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' GLU . 15.3 tp -71.76 -32.62 67.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.29 -37.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.476 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.84 -23.72 33.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.261 -0.899 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.7 m-20 -97.97 -44.33 6.71 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.913 -1.117 . . . . 0.0 111.817 -177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' SER . 56.8 mm-40 -100.19 -70.19 0.74 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.019 -1.05 . . . . 0.0 109.918 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mt -72.37 39.33 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 108.774 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.6 t -86.75 -22.1 26.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.518 -1.364 . . . . 0.0 110.216 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -94.64 -17.49 22.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 0.0 110.235 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -109.88 -44.57 3.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.37 133.45 42.75 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.143 -0.973 . . . . 0.0 109.019 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.28 135.14 33.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.62 103.85 0.73 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.92 139.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.96 -1.087 . . . . 0.0 108.918 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -119.01 -11.08 9.71 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.26 119.06 34.54 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.605 ' NE2' ' H ' ' A' ' 51' ' ' GLU . 1.7 pm0 -58.08 -21.37 45.64 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.425 -0.797 . . . . 0.0 110.265 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 39.8 tt0 -42.12 -43.44 3.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.121 -0.987 . . . . 0.0 111.685 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.9 m -77.45 -38.26 26.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.59 -1.319 . . . . 0.0 107.953 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -24.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLN . 18.8 m-20 -76.98 -31.77 56.77 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.2 tmmt? -79.23 -53.22 7.17 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -50.1 -42.55 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 108.696 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.503 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 mmt -60.82 -30.64 70.2 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' LYS . 21.6 tt0 -67.34 -27.76 67.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.36 -0.837 . . . . 0.0 108.878 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.9 m -91.44 -32.02 15.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.448 -0.783 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.4 mm? -97.41 -45.22 6.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.11 -0.994 . . . . 0.0 111.022 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 37.4 t0 -54.92 109.38 0.51 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.209 -1.557 . . . . 0.0 109.245 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -90.67 -36.11 14.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.24 -4.54 58.52 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.05 44.27 88.26 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 13.4 p30 -102.34 -5.01 24.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.792 -0.828 . . . . 0.0 110.306 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.87 6.93 88.58 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.01 152.96 50.83 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.7 m -113.9 98.81 7.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.223 -0.923 . . . . 0.0 110.513 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.75 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.705 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.3 p90 -76.01 -31.29 58.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 111.058 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.99 -44.6 79.99 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 111.12 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -90.09 -31.73 17.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.479 -1.388 . . . . 0.0 109.455 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 8.8 t80 -54.29 -41.39 68.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.512 -1.368 . . . . 0.0 108.873 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -42.31 87.46 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.44 -21.76 4.02 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.445 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.27 -53.17 11.52 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' ' OG1' ' A' ' 81' ' ' THR . 22.0 t -53.79 -33.18 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 82' ' ' THR . 1.9 t -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.783 0.802 . . . . 0.0 108.958 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.22 -32.25 64.65 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.496 -0.752 . . . . 0.0 109.834 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -32.65 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.448 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.9 m -68.49 -36.51 79.02 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 78' ' ' SER . 11.7 p -63.7 -40.24 96.29 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.438 -0.788 . . . . 0.0 110.256 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.7 74.0 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.661 -1.274 . . . . 0.0 107.898 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.5 m -70.36 -18.95 63.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' B' ' 25' ' ' HIS . 2.7 t-80 -92.72 -35.18 13.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -74.93 -37.65 61.96 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.337 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.54 -57.18 13.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 109.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' B' ' 3' ' ' LEU . 1.3 mm? -78.86 -27.31 44.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -74.95 -29.36 60.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.888 -1.133 . . . . 0.0 108.914 179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -69.35 -46.31 67.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -54.11 42.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.428 -0.795 . . . . 0.0 110.482 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.448 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.5 mtm -53.1 -37.7 61.94 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -75.71 -41.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.962 -1.086 . . . . 0.0 108.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.14 75.9 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.107 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.7 mp -80.1 -49.01 12.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.725 -1.234 . . . . 0.0 110.93 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.3 mt -46.03 -28.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.765 -1.21 . . . . 0.0 109.733 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.38 -51.59 9.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.112 -0.993 . . . . 0.0 109.457 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t -76.15 -26.95 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.188 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' B' ' 25' ' ' HIS . 3.0 t80 -73.39 -42.91 61.55 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.098 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -78.09 -29.93 49.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.949 -1.094 . . . . 0.0 110.855 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -67.08 -34.24 77.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.034 -1.041 . . . . 0.0 110.305 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 28.5 m-85 -90.78 -56.72 3.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.03 -1.044 . . . . 0.0 108.817 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 3.3 t -53.28 -21.59 5.71 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 108.418 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.82 -1.96 56.23 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -60.79 -43.66 97.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.817 -1.402 . . . . 0.0 109.194 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 4.9 pt-20 -164.11 173.79 12.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.352 -0.842 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.67 -162.35 25.4 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.44 -82.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.357 -1.084 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.413 ' H ' ' H ' ' B' ' 25' ' ' HIS . 45.1 tptt -171.33 -9.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.402 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CD2' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t60 -160.18 53.33 0.33 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.677 -1.264 . . . . 0.0 110.771 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.506 ' N ' ' OG ' ' B' ' 18' ' ' SER . 1.6 tppp? -137.02 147.89 46.51 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 1.8 tt -87.0 125.77 34.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.864 -1.147 . . . . 0.0 109.804 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.554 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -102.94 146.76 27.83 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' B' ' 31' ' ' GLU . 45.2 mtmt -47.23 -46.82 24.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.357 -1.464 . . . . 0.0 109.15 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -49.35 -13.95 0.09 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.14 -0.975 . . . . 0.0 109.081 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' B' ' 35' ' ' LEU . 88.7 mt-10 -101.9 -36.61 8.58 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -47.76 70.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.852 -1.155 . . . . 0.0 108.948 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -69.69 -37.75 76.73 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.17 -33.67 50.07 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.242 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 31' ' ' GLU . 15.4 tp -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.992 -1.067 . . . . 0.0 108.32 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -74.45 -36.99 43.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.428 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.91 -23.73 33.42 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.904 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 1.7 m-20 -97.88 -44.37 6.72 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.139 -0.976 . . . . 0.0 111.762 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' B' ' 41' ' ' SER . 56.6 mm-40 -100.09 -70.33 0.74 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.954 -1.091 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.39 39.33 0.08 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 108.83 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.6 t -86.69 -22.06 26.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.575 -1.328 . . . . 0.0 110.1 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -94.81 -17.58 21.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -109.82 -44.47 3.82 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.309 -0.869 . . . . 0.0 109.355 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.49 133.36 42.97 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 109.088 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.2 135.07 32.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.476 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.5 103.65 0.69 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.93 139.6 19.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 120.89 -1.131 . . . . 0.0 108.934 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -119.09 -10.97 9.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.16 118.79 33.81 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.61 ' NE2' ' H ' ' B' ' 51' ' ' GLU . 1.7 pm0 -57.84 -21.34 42.0 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.526 -0.734 . . . . 0.0 110.252 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.61 ' H ' ' NE2' ' B' ' 50' ' ' GLN . 39.9 tt0 -42.19 -43.36 3.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.078 -1.014 . . . . 0.0 111.748 -178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.425 ' H ' HG22 ' B' ' 52' ' ' VAL . 5.2 m -77.61 -37.91 25.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.622 -1.298 . . . . 0.0 107.932 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -23.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' B' ' 50' ' ' GLN . 18.5 m-20 -77.07 -31.68 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 58' ' ' GLU . 1.2 tmmt? -79.29 -53.17 7.21 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -50.18 -42.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.857 -1.152 . . . . 0.0 108.699 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.506 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 mmt -61.1 -30.55 70.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 55' ' ' LYS . 21.9 tt0 -67.46 -27.8 67.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 108.765 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.0 m -91.34 -31.95 15.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.53 -0.731 . . . . 0.0 109.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -97.48 -45.35 6.46 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.226 -0.921 . . . . 0.0 111.019 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 37.4 t0 -54.91 109.57 0.54 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.246 -1.534 . . . . 0.0 109.112 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -90.77 -36.14 14.45 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.14 -4.62 58.56 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.0 44.34 87.99 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 13.5 p30 -102.47 -4.82 24.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.782 -0.834 . . . . 0.0 110.366 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.82 6.77 88.53 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -131.83 152.88 50.7 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.506 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 52.5 m -113.69 98.69 7.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.375 -0.828 . . . . 0.0 110.627 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.356 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.3 p90 -76.0 -31.36 58.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.812 -1.18 . . . . 0.0 110.902 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.84 -44.46 80.98 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 111.172 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.6 pt-20 -90.39 -31.61 16.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.475 -1.391 . . . . 0.0 109.482 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 8.9 t80 -54.32 -41.86 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.591 -1.318 . . . . 0.0 108.839 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.95 89.52 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.86 -21.64 4.5 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.476 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -73.25 -53.22 11.43 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 81' ' ' THR . 21.8 t -53.57 -33.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 108.401 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.783 ' O ' HG23 ' B' ' 82' ' ' THR . 1.8 t -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.855 0.836 . . . . 0.0 108.985 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.06 -32.42 65.02 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.544 -0.723 . . . . 0.0 109.936 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.55 -32.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.467 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 45.3 m -68.44 -36.61 79.28 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.783 HG23 ' O ' ' B' ' 78' ' ' SER . 11.1 p -63.46 -40.43 97.1 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.357 -0.839 . . . . 0.0 110.213 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.77 74.14 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.715 -1.241 . . . . 0.0 107.931 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 m -70.26 -19.2 63.13 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.645 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 2.6 t-80 -92.5 -35.07 13.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.458 -0.777 . . . . 0.0 109.366 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.97 -37.52 61.89 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.927 -1.109 . . . . 0.0 109.439 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.78 -57.04 14.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.428 -0.795 . . . . 0.0 109.166 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.525 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.31 -22.77 61.89 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.61 -27.99 37.16 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -50.36 60.21 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.18 0.514 . . . . 0.0 110.195 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.1 mtt -49.37 -41.51 39.39 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.161 -0.962 . . . . 0.0 109.454 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.73 -42.04 62.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.572 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.2 79.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.219 -0.925 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.3 mp -78.82 -44.88 22.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.819 -1.176 . . . . 0.0 110.123 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -46.3 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.98 -1.075 . . . . 0.0 109.342 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.54 -50.95 69.31 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.7 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.416 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.2 m-85 -71.89 -43.15 65.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.089 -1.007 . . . . 0.0 109.855 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 2.2 t-160 -76.85 -37.62 55.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.967 . . . . 0.0 110.582 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.8 -38.73 83.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.87 -1.144 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -87.72 -58.94 2.39 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.031 -1.043 . . . . 0.0 110.298 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -57.62 -25.01 59.5 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 108.657 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.25 3.2 58.06 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -64.06 -42.87 96.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.925 -1.338 . . . . 0.0 108.957 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.13 155.32 32.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.473 -0.767 . . . . 0.0 109.27 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.15 16.37 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.14 -80.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.305 -1.115 . . . . 0.0 109.376 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.7 tmtt? -179.06 -7.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.986 -1.071 . . . . 0.0 109.259 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.1 m-70 -152.99 46.84 0.7 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 110.553 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 11.0 ttmm -133.8 146.27 50.53 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.2 tt -87.05 126.69 34.92 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 110.235 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 27.6 mttp -108.39 149.17 29.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' GLU . 25.7 mttp -43.53 -48.38 7.44 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.998 -1.064 . . . . 0.0 109.6 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -48.45 -12.09 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 29' ' ' LYS . 48.3 mt-10 -99.57 -42.82 6.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.261 -0.899 . . . . 0.0 109.378 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -51.67 65.63 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.221 -0.924 . . . . 0.0 108.996 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -66.0 -37.78 86.8 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.218 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -77.93 -33.73 51.6 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.58 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 49.6 tp -74.01 -33.06 63.65 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.306 -0.871 . . . . 0.0 108.825 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.07 -37.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 2.5 t-20 -78.45 -22.25 47.9 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.722 -0.612 . . . . 0.0 111.443 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -94.03 -43.42 8.53 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.676 -1.265 . . . . 0.0 113.382 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' SER . 85.7 mt-10 -120.53 -51.12 2.18 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.796 -1.19 . . . . 0.0 110.354 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -79.0 21.22 0.44 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.58 -17.65 53.44 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -23.76 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.36 -55.33 2.49 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 131.1 36.9 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.47 150.39 22.73 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.997 -1.064 . . . . 0.0 108.745 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.66 99.32 0.78 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.103 -0.998 . . . . 0.0 108.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.67 140.75 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.135 -0.978 . . . . 0.0 109.487 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -106.57 -15.12 14.86 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -122.41 136.23 54.85 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -70.47 -17.06 62.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.671 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -47.18 -36.3 8.53 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.979 -1.075 . . . . 0.0 111.048 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 52' ' ' VAL . 2.4 m -77.76 -37.7 24.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.622 -1.299 . . . . 0.0 107.531 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -65.13 -23.92 34.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 178.502 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -77.83 -35.68 50.98 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -52.97 10.76 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.9 p -54.03 -40.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.769 -1.207 . . . . 0.0 108.012 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.535 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 10.7 mmm -65.49 -31.21 72.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.21 -38.72 92.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.0 109.068 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.3 m -79.1 -30.84 44.05 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.451 -0.78 . . . . 0.0 109.484 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -91.08 -43.17 10.07 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.182 -0.949 . . . . 0.0 110.844 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 108.46 0.46 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.492 -1.38 . . . . 0.0 110.68 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -86.56 -43.15 12.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 31.4 p-10 -79.41 -2.05 40.01 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 43.67 84.7 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 107.767 -2.133 . . . . 0.0 107.767 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 30.6 p-10 -95.78 -5.42 41.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.629 -0.924 . . . . 0.0 109.983 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.6 -1.38 37.26 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 107.942 -2.063 . . . . 0.0 107.942 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 65' ' ' ASP . 42.3 mt-10 -122.72 160.3 26.18 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.535 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 57.3 m -126.18 96.61 4.78 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.294 -0.879 . . . . 0.0 110.955 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -52.33 -170.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.632 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -77.99 -31.75 50.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.393 -1.442 . . . . 0.0 112.038 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' C ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.67 -32.84 60.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.633 -1.292 . . . . 0.0 109.486 -178.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 27.3 tt0 -86.54 -40.51 15.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 108.539 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.1 t80 -54.97 -39.96 69.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.198 -0.939 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 1.1 ttt -62.52 -44.33 96.63 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.65 -22.23 1.95 Allowed 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.587 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.4 -48.69 21.76 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.033 -1.042 . . . . 0.0 108.243 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.4 t -57.61 -38.44 64.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.16 -0.963 . . . . 0.0 109.226 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.75 -31.46 71.38 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.059 -1.026 . . . . 0.0 109.481 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.72 -25.45 62.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.35 -36.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.63 -35.11 70.32 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 179.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 78' ' ' SER . 17.7 p -63.55 -39.33 94.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 110.314 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.26 84.67 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.685 -1.259 . . . . 0.0 108.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.1 t -61.4 -15.09 33.3 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.562 -0.855 . . . . 0.0 108.772 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -100.34 -34.96 9.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.494 -0.754 . . . . 0.0 109.251 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.35 -46.59 66.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.648 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.93 -41.73 91.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.237 -0.914 . . . . 0.0 109.155 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 0.0 109.741 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.446 HD23 ' OE1' ' A' ' 39' ' ' GLU . 1.5 mm? -71.3 -22.94 61.87 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -80.4 -28.14 37.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -44.34 85.0 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.04 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.182 0.515 . . . . 0.0 110.268 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.3 mtt -49.19 -41.58 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 0.0 109.46 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.86 -42.24 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.481 -0.762 . . . . 0.0 109.451 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.2 79.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.902 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.2 mp -78.76 -44.97 22.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.875 -1.141 . . . . 0.0 110.12 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.81 -46.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.107 -0.996 . . . . 0.0 109.379 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.27 -51.15 68.87 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.305 -0.872 . . . . 0.0 109.96 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.0 110.37 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.2 m-85 -71.8 -43.29 65.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.021 -1.05 . . . . 0.0 109.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.82 -37.49 55.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.1 -1.0 . . . . 0.0 110.5 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -67.74 -38.91 84.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.941 -1.099 . . . . 0.0 110.23 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -87.74 -58.89 2.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.996 -1.065 . . . . 0.0 110.257 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.3 p -57.6 -24.91 58.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.915 -1.116 . . . . 0.0 108.626 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.4 3.19 57.85 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -63.89 -42.88 97.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.92 -1.341 . . . . 0.0 108.971 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.14 155.63 32.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.403 -0.81 . . . . 0.0 109.277 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.66 -162.52 16.52 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.98 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -1.074 . . . . 0.0 109.482 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.54 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.9 tmtt? -179.12 -7.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.07 -1.019 . . . . 0.0 109.316 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.6 m-70 -153.2 46.88 0.68 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.93 -1.106 . . . . 0.0 110.507 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.465 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 10.8 ttmm -133.74 146.37 50.7 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' B' ' 73' ' ' PHE . 7.2 tt -87.09 126.65 34.9 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.29 -0.882 . . . . 0.0 110.139 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 28.3 mttp -108.25 149.32 28.76 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 31' ' ' GLU . 26.8 mttp -43.93 -48.2 8.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.864 -1.148 . . . . 0.0 109.641 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -48.49 -12.06 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.359 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 35' ' ' LEU . 47.9 mt-10 -99.55 -42.84 6.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.247 -0.908 . . . . 0.0 109.377 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -51.27 66.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 108.991 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.137 -0.977 . . . . 0.0 109.19 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -77.84 -33.74 52.18 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.528 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 31' ' ' GLU . 49.9 tp -74.04 -32.96 63.55 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.341 -0.849 . . . . 0.0 108.803 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.12 -37.66 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 2.5 t-20 -78.38 -22.2 48.23 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 111.242 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -94.0 -43.68 8.42 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.571 -1.33 . . . . 0.0 113.295 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' B' ' 41' ' ' SER . 85.3 mt-10 -120.49 -50.98 2.19 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.695 -1.253 . . . . 0.0 110.304 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -79.01 21.13 0.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.469 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -79.56 -17.64 53.51 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -23.94 21.86 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -102.2 -54.99 2.57 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.5 mm? -91.48 131.1 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.56 150.2 23.56 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.075 -1.016 . . . . 0.0 108.755 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.25 99.2 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.975 -1.078 . . . . 0.0 108.976 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.74 140.66 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -106.5 -15.12 14.88 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -122.35 136.16 54.85 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.46 -17.07 62.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.114 -0.991 . . . . 0.0 109.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -47.35 -36.08 9.02 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.911 -1.118 . . . . 0.0 111.028 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.405 HG22 ' H ' ' B' ' 52' ' ' VAL . 2.4 m -77.84 -37.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -65.04 -23.91 34.38 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -77.89 -35.63 50.55 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -52.76 11.36 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.6 p -54.16 -40.19 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.881 -1.137 . . . . 0.0 107.932 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.52 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 11.5 mmm -65.53 -31.15 72.06 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.29 -38.45 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.176 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -79.35 -30.53 42.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.38 -0.825 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.3 mm? -91.25 -43.27 9.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.231 -0.918 . . . . 0.0 110.864 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 7.2 m-20 -56.02 108.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.478 -1.389 . . . . 0.0 110.606 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -86.4 -43.08 13.12 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.1 p-10 -79.38 -2.16 40.42 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.38 43.61 84.88 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 30.9 p-10 -95.8 -5.4 41.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.708 -0.877 . . . . 0.0 110.095 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.37 -1.28 36.1 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 65' ' ' ASP . 41.9 mt-10 -122.67 160.06 26.61 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.52 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 56.0 m -126.05 96.49 4.75 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.239 -0.913 . . . . 0.0 111.04 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -52.28 -170.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -77.95 -31.54 50.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.452 -1.405 . . . . 0.0 112.002 -178.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -75.91 -32.57 59.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.534 -1.354 . . . . 0.0 109.648 -178.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.442 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 27.6 tt0 -86.69 -40.56 14.96 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.608 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.537 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.2 t80 -55.02 -40.0 69.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.861 . . . . 0.0 109.223 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.51 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -62.34 -44.51 96.32 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.33 -22.5 1.85 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.585 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -75.41 -48.67 21.77 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.042 -1.036 . . . . 0.0 108.333 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' B' ' 81' ' ' THR . 21.7 t -57.64 -38.31 63.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.245 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -67.97 -31.29 70.91 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.153 -0.967 . . . . 0.0 109.517 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.7 -25.53 62.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.18 -36.43 10.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.78 -34.99 69.89 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 78' ' ' SER . 18.0 p -63.69 -39.32 94.03 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.388 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.34 84.44 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.75 -1.219 . . . . 0.0 108.669 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.28 -15.27 33.51 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.532 -0.867 . . . . 0.0 108.733 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.411 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 3.4 t-160 -100.08 -35.0 9.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 109.207 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.45 -46.36 66.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.997 -1.065 . . . . 0.0 109.629 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -41.6 90.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 109.218 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.723 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' B' ' 13' ' ' VAL . 1.5 mm? -78.01 -27.12 48.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.131 -0.981 . . . . 0.0 109.836 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 2.2 tm-20 -74.1 -30.72 62.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.594 -1.316 . . . . 0.0 109.021 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -71.09 -47.12 60.01 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.99 -53.64 56.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.55 -0.719 . . . . 0.0 110.115 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 mtt -55.48 -38.74 69.52 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.1 -1.0 . . . . 0.0 109.135 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.44 -53.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.028 -1.045 . . . . 0.0 108.657 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.58 -37.73 41.49 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.736 -0.602 . . . . 0.0 110.385 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' PHE . 9.7 mp -79.33 -45.32 19.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.778 -1.201 . . . . 0.0 110.61 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.39 -35.48 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.609 -1.307 . . . . 0.0 109.918 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.85 -50.77 12.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.671 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' B' ' 3' ' ' LEU . 46.9 t -73.76 -25.7 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.231 -0.918 . . . . 0.0 109.376 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 t80 -66.69 -45.86 77.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.616 -0.677 . . . . 0.0 110.133 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.651 ' CD2' ' HE2' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -77.91 -40.25 40.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 0.0 110.304 -179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.95 -44.31 40.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.079 -1.013 . . . . 0.0 110.656 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.28 -57.73 2.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 9.2 t -48.77 -28.85 3.94 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.084 -1.01 . . . . 0.0 108.834 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.15 2.98 51.19 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.42 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -63.44 -36.39 83.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.213 -1.757 . . . . 0.0 110.683 -179.089 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 20.8 pt-20 -163.0 166.13 24.1 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.465 -1.397 . . . . 0.0 111.389 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 74.67 -136.59 21.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLY . 17.4 m-20 -54.88 -113.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.841 -0.799 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -171.99 -17.83 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.923 -1.11 . . . . 0.0 110.162 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 14' ' ' PHE . 3.8 t60 -133.79 33.3 3.47 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.769 -1.207 . . . . 0.0 111.366 -178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 18' ' ' SER . 28.0 mtmt -143.25 150.99 40.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.892 -1.13 . . . . 0.0 108.449 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 73' ' ' PHE . 2.1 mp -95.07 138.15 33.17 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.115 0.96 . . . . 0.0 110.077 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 41.8 mttm -108.15 156.77 18.93 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.6 mttm -46.79 -47.44 20.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.988 -1.07 . . . . 0.0 109.674 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.92 -11.23 0.15 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.141 -0.975 . . . . 0.0 109.038 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 31.5 mt-10 -100.05 -35.88 9.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.387 -0.821 . . . . 0.0 108.959 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -60.75 2.74 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.1 -34.45 72.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.428 -0.795 . . . . 0.0 109.974 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -82.59 -38.73 23.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 110.437 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.5 tp -72.78 -32.11 65.35 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 47' ' ' ILE . 64.7 mt -72.49 -41.05 64.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.597 -0.69 . . . . 0.0 109.345 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.6 m-20 -82.94 -24.75 32.9 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.263 -0.898 . . . . 0.0 111.1 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.33 -43.68 7.57 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.958 -1.089 . . . . 0.0 111.291 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.8 tp10 -98.99 -66.84 0.88 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.988 -1.07 . . . . 0.0 110.328 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 2.4 mt -76.55 39.3 0.21 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 108.826 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -87.34 -17.04 33.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.912 . . . . 0.0 110.041 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.5 p80 -99.85 -27.91 13.38 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.835 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.406 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.0 m-85 -98.76 -62.35 1.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 36' ' ' ILE . 37.7 tp -76.57 137.54 39.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.022 -1.048 . . . . 0.0 108.236 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -49.39 136.72 15.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.018 -1.051 . . . . 0.0 109.877 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.7 103.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.493 -0.754 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 36' ' ' ILE . 4.0 mt -74.38 128.64 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 108.936 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -114.26 -25.34 8.5 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.712 . . . . 0.0 109.345 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -97.36 157.86 15.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.34 -0.85 . . . . 0.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -95.1 -29.55 14.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.303 -0.873 . . . . 0.0 109.787 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -52.44 -26.81 13.75 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.145 -0.972 . . . . 0.0 110.005 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.2 m -76.22 -38.92 34.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.54 -23.71 33.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 177.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.07 -35.94 56.23 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLU . 45.4 tttt -73.08 -57.66 3.87 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.24 -44.51 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.39 -38.42 80.49 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' LYS . 6.2 tp10 -64.29 -29.89 70.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 109.512 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.2 m -88.97 -27.75 20.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 75' ' ' ALA . 20.4 tp -105.2 -38.19 6.63 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 110.904 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.2 t0 -58.32 101.22 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.446 -1.409 . . . . 0.0 109.707 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.32 -31.01 16.25 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.37 -5.11 59.04 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 43.05 96.64 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.3 p-10 -103.93 -5.7 22.01 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.552 -0.97 . . . . 0.0 110.04 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.22 0.22 35.36 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 65' ' ' ASP . 80.2 mt-10 -127.5 164.86 20.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 69' ' ' ASP . 81.1 m -127.43 97.61 4.95 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.288 -0.883 . . . . 0.0 110.776 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -55.29 -163.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.715 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -74.3 -45.0 50.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.23 -1.544 . . . . 0.0 111.278 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -62.75 -29.61 70.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.88 -1.137 . . . . 0.0 110.324 -178.274 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 35.8 tt0 -92.5 -40.78 10.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.65 -1.281 . . . . 0.0 108.83 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 27' ' ' LEU . 6.2 t80 -55.26 -42.75 73.94 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.11 -0.994 . . . . 0.0 108.858 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.76 91.8 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.15 -17.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.41 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -75.14 -56.63 4.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.9 -1.125 . . . . 0.0 108.713 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.11 -33.68 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 108.642 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 8.3 t -62.72 -36.45 83.02 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.586 0.708 . . . . 0.0 109.449 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttp -72.72 -25.73 61.32 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.21 -38.03 12.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -38.14 82.78 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 30.0 p -65.87 -40.2 91.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.81 -178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.53 89.54 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.499 -1.375 . . . . 0.0 108.323 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.16 -10.07 37.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.493 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.689 ' HE2' ' CD2' ' B' ' 15' ' ' HIS . 3.4 t-160 -101.68 -42.57 6.15 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 82' ' ' THR . 11.6 tp10 -69.55 -38.97 77.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.26 -58.3 9.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.002 . . . . 0.0 109.418 179.747 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 13' ' ' VAL . 1.6 mm? -78.55 -27.02 45.79 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.352 -0.843 . . . . 0.0 109.662 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 2.2 tm-20 -74.23 -30.9 62.38 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.703 -1.248 . . . . 0.0 108.955 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.98 -46.9 61.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.502 -0.749 . . . . 0.0 108.994 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.04 62.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 0.0 110.189 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.104 -0.997 . . . . 0.0 109.175 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.32 -53.12 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.155 -0.965 . . . . 0.0 108.644 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.09 -37.52 46.25 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.673 -0.642 . . . . 0.0 110.45 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 14' ' ' PHE . 9.7 mp -79.26 -45.33 19.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.673 -1.267 . . . . 0.0 110.535 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' B' ' 10' ' ' LEU . 2.9 mm -44.43 -35.43 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.583 -1.323 . . . . 0.0 109.967 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.72 -50.93 12.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.065 -1.022 . . . . 0.0 109.672 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' A' ' 3' ' ' LEU . 43.5 t -73.71 -25.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 109.529 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' CE1' ' B' ' 25' ' ' HIS . 1.9 t80 -66.71 -45.77 77.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.238 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.689 ' CD2' ' HE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -77.9 -40.22 40.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.98 -44.34 40.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.168 -0.957 . . . . 0.0 110.691 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.32 -57.62 2.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.113 -0.992 . . . . 0.0 109.455 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 9.3 t -48.84 -28.7 3.92 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.018 -1.051 . . . . 0.0 108.891 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.26 2.83 50.76 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.559 -0.713 . . . . 0.0 111.409 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.467 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -63.46 -36.19 82.93 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.165 -1.785 . . . . 0.0 110.67 -178.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' B' ' 20' ' ' ARG . 20.6 pt-20 -163.11 166.18 23.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.523 -1.36 . . . . 0.0 111.267 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 74.57 -136.84 21.67 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLY . 17.2 m-20 -54.79 -113.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.854 -0.792 . . . . 0.0 110.084 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -172.09 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' CE2' ' B' ' 14' ' ' PHE . 3.6 t60 -133.74 33.29 3.49 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.691 -1.256 . . . . 0.0 111.334 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.529 ' N ' ' OG ' ' B' ' 18' ' ' SER . 28.7 mtmt -143.21 150.77 39.81 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.88 -1.137 . . . . 0.0 108.447 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.2 mp -95.04 137.94 33.42 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.098 0.951 . . . . 0.0 110.049 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 41.7 mttm -108.18 156.65 19.09 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.461 ' C ' ' N ' ' B' ' 31' ' ' GLU . 55.3 mttm -46.64 -47.64 20.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.979 -1.076 . . . . 0.0 109.691 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -51.82 -11.16 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.182 -0.949 . . . . 0.0 109.025 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 28' ' ' LYS . 32.3 mt-10 -99.96 -35.84 9.59 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.46 -0.775 . . . . 0.0 109.054 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' B' ' 32' ' ' LEU . 1.0 OUTLIER -64.46 -60.97 2.53 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.31 -34.43 72.32 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.382 -0.824 . . . . 0.0 109.947 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -82.52 -38.84 23.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.214 -0.929 . . . . 0.0 110.372 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' B' ' 31' ' ' GLU . 14.2 tp -72.57 -32.59 66.14 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.561 HG21 HD12 ' B' ' 47' ' ' ILE . 62.5 mt -71.93 -41.46 68.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.608 -0.682 . . . . 0.0 109.423 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.454 ' O ' ' OG ' ' B' ' 41' ' ' SER . 15.8 m-20 -82.74 -24.79 33.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.331 -0.856 . . . . 0.0 111.15 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.19 -43.62 7.65 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.964 -1.085 . . . . 0.0 111.427 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.7 tp10 -99.19 -66.88 0.87 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.972 -1.08 . . . . 0.0 110.327 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 2.2 mt -76.27 39.31 0.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.4 -17.37 32.43 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.0 110.014 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.5 p80 -99.43 -28.2 13.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.169 -0.957 . . . . 0.0 109.82 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.415 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.0 m-85 -98.46 -62.4 1.25 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.55 137.45 39.57 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.022 -1.049 . . . . 0.0 108.249 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -49.48 136.96 15.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.065 -1.022 . . . . 0.0 109.744 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.71 103.12 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.76 . . . . 0.0 109.608 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.561 HD12 HG21 ' B' ' 36' ' ' ILE . 4.0 mt -74.31 128.78 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 108.883 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -114.51 -25.23 8.44 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.571 -0.706 . . . . 0.0 109.367 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.36 157.9 15.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.301 -0.875 . . . . 0.0 109.212 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.16 -29.46 14.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.197 -0.939 . . . . 0.0 109.747 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -52.53 -26.87 14.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.19 -0.943 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.448 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.0 m -76.01 -38.89 36.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.448 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.43 -23.91 33.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -35.73 56.94 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' GLU . 45.8 tttt -73.22 -57.86 3.72 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -45.2 -44.51 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.33 -38.53 80.57 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.016 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 55' ' ' LYS . 6.2 tp10 -64.16 -30.11 71.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 46.8 m -88.82 -27.52 21.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.613 -0.679 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' B' ' 75' ' ' ALA . 20.1 tp -105.17 -38.46 6.54 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 110.938 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -57.97 101.29 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.445 -1.41 . . . . 0.0 109.622 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.47 -30.98 16.16 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -5.11 59.05 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 42.82 96.58 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.474 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 33.8 p-10 -103.97 -5.73 21.93 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.502 -0.999 . . . . 0.0 109.848 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.31 0.38 36.96 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.018 -2.033 . . . . 0.0 108.018 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 65' ' ' ASP . 80.0 mt-10 -127.64 164.96 20.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' ASP . 83.5 m -127.53 97.52 4.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.261 -0.9 . . . . 0.0 110.779 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.2 OUTLIER -55.17 -163.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -74.6 -45.01 47.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.164 -1.585 . . . . 0.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -62.54 -29.67 70.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.101 . . . . 0.0 110.4 -178.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 35.5 tt0 -92.5 -40.82 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.707 -1.246 . . . . 0.0 108.768 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' B' ' 27' ' ' LEU . 6.1 t80 -55.23 -42.61 73.61 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.102 -0.999 . . . . 0.0 108.921 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -45.69 92.34 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.04 -17.79 1.17 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.463 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.91 -56.73 4.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.949 -1.095 . . . . 0.0 108.774 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.34 -33.32 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.774 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -63.28 -36.13 82.65 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.577 0.703 . . . . 0.0 109.38 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 ttp -72.79 -25.94 61.34 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.95 -38.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -67.96 -37.89 82.11 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.774 HG23 ' O ' ' B' ' 78' ' ' SER . 32.2 p -66.08 -40.14 90.59 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.027 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.34 90.12 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.584 -1.323 . . . . 0.0 108.267 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.2 -10.1 38.4 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.651 ' HE2' ' CD2' ' A' ' 15' ' ' HIS . 3.3 t-160 -101.71 -42.54 6.15 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -69.64 -39.03 77.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.307 -0.871 . . . . 0.0 109.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.12 -58.43 8.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.242 -0.911 . . . . 0.0 109.66 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 t80 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.114 -0.991 . . . . 0.0 109.417 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 12' ' ' ASP . 31.6 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -25.02 61.31 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.63 -0.669 . . . . 0.0 110.797 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -65.52 -50.61 64.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.726 -1.234 . . . . 0.0 108.715 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.747 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -52.91 -45.14 67.46 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.65 -56.17 23.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.826 -0.546 . . . . 0.0 111.643 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 ptp -66.41 -28.42 68.61 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.749 -1.219 . . . . 0.0 109.33 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.9 -55.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.133 -0.98 . . . . 0.0 108.778 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.27 -32.69 17.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.617 -0.677 . . . . 0.0 110.112 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' PHE . 3.5 mt -77.28 -42.93 35.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.861 -1.149 . . . . 0.0 110.237 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.24 -35.14 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 109.201 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' B' ' 2' ' ' GLU . 24.8 t70 -71.64 -50.9 26.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.93 -25.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.652 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 10.5 t80 -73.49 -47.76 38.65 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.387 -0.821 . . . . 0.0 109.763 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.642 ' HE2' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -74.98 -30.44 61.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.094 -1.003 . . . . 0.0 109.889 -179.021 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -67.49 -40.59 85.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.041 -1.037 . . . . 0.0 110.338 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -88.81 -57.69 2.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 108.636 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.511 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 m -53.37 -20.38 4.43 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.8 -3.03 56.18 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -61.19 -43.83 98.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.412 . . . . 0.0 108.477 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -162.97 171.25 16.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.773 . . . . 0.0 109.592 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.16 -167.31 23.75 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.08 -68.03 0.23 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.2 -1.176 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -41.05 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.306 -0.871 . . . . 0.0 109.653 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' CD2' ' HE2' ' A' ' 15' ' ' HIS . 9.6 m170 -133.33 64.8 1.6 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.089 -1.007 . . . . 0.0 110.81 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -144.07 149.42 36.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mp -97.59 129.28 44.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.996 -1.065 . . . . 0.0 111.039 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mtmp? -107.9 157.92 17.78 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.8 ttpt -45.53 -47.62 14.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.998 -1.064 . . . . 0.0 109.351 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 m -48.62 -15.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.26 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LYS . 29.5 mt-10 -99.19 -42.88 6.85 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.211 -0.931 . . . . 0.0 108.847 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -60.92 -51.23 70.14 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.146 -0.971 . . . . 0.0 109.428 -179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.89 -36.29 81.96 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.083 -1.011 . . . . 0.0 109.635 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.41 -30.8 42.55 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.064 -1.023 . . . . 0.0 109.761 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' GLU . 27.3 tp -71.7 -34.22 69.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.116 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 pt -78.7 -33.3 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.733 -1.23 . . . . 0.0 109.542 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.02 -22.61 45.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -97.95 -42.8 7.36 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.244 -0.91 . . . . 0.0 111.829 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' SER . 10.0 mm-40 -105.92 -67.63 0.92 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.954 -1.091 . . . . 0.0 110.535 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -74.0 35.5 0.09 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.16 -0.962 . . . . 0.0 109.499 -179.129 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.03 -20.84 26.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.119 -0.988 . . . . 0.0 109.899 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.66 -22.37 34.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.11 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.11 -45.12 3.08 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 135.63 33.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -69.37 142.37 53.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.247 -0.908 . . . . 0.0 109.362 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 111.08 6.68 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.89 129.04 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.095 -1.003 . . . . 0.0 110.252 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.62 -8.26 44.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -123.49 133.04 54.08 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -73.98 -13.69 60.91 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.215 -0.928 . . . . 0.0 108.963 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -39.15 -48.99 1.8 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.68 . . . . 0.0 112.178 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.0 m -71.33 -35.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 C-N-CA 118.286 -1.366 . . . . 0.0 107.868 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -66.68 -23.94 32.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.501 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 97.3 m-20 -79.14 -35.83 41.45 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.38 -47.44 19.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -53.45 -43.36 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -50.48 -38.63 45.02 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.83 -29.34 70.66 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 28.0 m -87.58 -28.4 21.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.474 -0.766 . . . . 0.0 109.527 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.37 -49.17 4.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.303 -0.873 . . . . 0.0 110.457 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' MET . 44.7 t0 -55.93 104.2 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.616 -1.302 . . . . 0.0 109.823 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.81 -40.56 11.72 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.4 p30 -80.5 -4.96 55.85 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.49 46.65 75.58 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 108.609 -1.796 . . . . 0.0 108.609 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 15.4 p30 -100.51 -5.32 27.12 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.372 -1.075 . . . . 0.0 110.041 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.52 -3.21 26.26 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.062 -2.015 . . . . 0.0 108.062 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 65' ' ' ASP . 36.3 mt-10 -117.77 170.1 9.06 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -122.65 88.85 3.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.465 -0.772 . . . . 0.0 109.617 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 1.5 m-20 -52.31 -175.56 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.136 -0.978 . . . . 0.0 108.611 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.7 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.2 p90 -73.15 -28.69 62.38 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.689 -1.257 . . . . 0.0 111.108 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -69.88 -47.29 63.12 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.31 -0.869 . . . . 0.0 111.853 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -87.0 -30.07 21.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.536 -1.353 . . . . 0.0 108.531 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 76' ' ' PHE . 2.0 t80 -52.69 -46.77 67.42 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.792 -1.192 . . . . 0.0 108.265 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -43.29 95.07 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -53.26 -19.35 3.1 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 30.3 t80 -72.89 -53.63 10.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.78 -1.2 . . . . 0.0 107.905 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -58.28 -32.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 82' ' ' THR . 21.9 p -59.25 -38.42 80.03 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.764 . . . . 0.0 109.285 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.8 ttm -72.12 -27.57 62.71 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.34 -39.99 19.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -66.59 -36.6 83.01 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' B' ' 70' ' ' PHE . 26.9 p -67.25 -38.96 86.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.93 -1.106 . . . . 0.0 111.271 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.92 78.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.459 -1.401 . . . . 0.0 109.019 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.1 t -61.23 -11.07 8.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.289 -0.882 . . . . 0.0 108.707 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.559 ' HE2' ' CD2' ' B' ' 15' ' ' HIS . 1.8 t-80 -105.95 -35.14 7.39 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -75.21 -45.83 37.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.143 -0.973 . . . . 0.0 109.29 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.18 -27.86 67.62 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 3.1 m-85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.174 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 32.5 mt-10 . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -24.96 61.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.647 -0.658 . . . . 0.0 110.796 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -65.65 -50.18 65.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.851 -1.156 . . . . 0.0 108.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.749 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 0.3 OUTLIER -53.32 -44.99 68.84 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.22 22.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.777 -0.577 . . . . 0.0 111.597 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.9 ptp -66.46 -28.29 68.47 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.78 -1.2 . . . . 0.0 109.329 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.89 -55.29 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.017 -1.052 . . . . 0.0 108.811 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.85 16.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.59 -0.694 . . . . 0.0 110.126 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 3.4 mt -77.29 -42.82 35.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.809 -1.182 . . . . 0.0 110.292 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -47.38 -35.05 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.756 -1.215 . . . . 0.0 109.105 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.426 ' OD2' ' OE2' ' A' ' 2' ' ' GLU . 25.0 t70 -71.64 -51.22 24.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.138 -0.976 . . . . 0.0 109.718 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -76.67 -26.04 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 10.8 t80 -73.42 -47.97 37.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.309 -0.869 . . . . 0.0 109.798 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.636 ' HE2' ' CD2' ' B' ' 25' ' ' HIS . 0.3 OUTLIER -74.88 -30.34 61.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -179.027 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -67.62 -40.46 84.66 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.068 -1.02 . . . . 0.0 110.335 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -89.04 -57.38 2.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.996 -1.065 . . . . 0.0 108.635 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 2.6 m -53.52 -20.39 4.88 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.87 -2.99 56.12 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -61.07 -43.82 98.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.843 -1.386 . . . . 0.0 108.538 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -162.91 171.01 17.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.456 -0.778 . . . . 0.0 109.634 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -167.46 23.78 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -46.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.193 -1.181 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.658 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.636 ' CD2' ' HE2' ' B' ' 15' ' ' HIS . 9.5 m170 -133.31 64.52 1.61 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.06 -1.025 . . . . 0.0 110.773 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -143.72 149.26 36.9 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' B' ' 73' ' ' PHE . 4.3 mp -97.45 129.28 44.67 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 122.299 1.047 . . . . 0.0 111.049 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 29' ' ' LYS . 2.5 mtmp? -107.96 157.78 17.92 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 31' ' ' GLU . 15.5 ttpt -45.23 -47.86 12.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.894 -1.129 . . . . 0.0 109.381 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -48.46 -15.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.244 -0.91 . . . . 0.0 109.227 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 31.5 mt-10 -99.2 -42.7 6.93 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.273 -0.892 . . . . 0.0 108.804 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.431 HD13 HG22 ' B' ' 53' ' ' VAL . 0.9 OUTLIER -61.02 -51.35 69.6 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.99 -36.26 81.77 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.996 -1.065 . . . . 0.0 109.66 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -79.35 -30.82 42.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.047 -1.033 . . . . 0.0 109.677 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.6 tp -72.01 -33.91 68.43 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.316 -0.865 . . . . 0.0 110.105 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.404 ' H ' HG12 ' B' ' 36' ' ' ILE . 3.9 pt -78.74 -33.36 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.696 -1.252 . . . . 0.0 109.545 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -78.94 -22.45 45.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -98.08 -42.96 7.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.175 -0.953 . . . . 0.0 111.822 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.8 mm-40 -105.89 -67.81 0.91 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.919 -1.113 . . . . 0.0 110.514 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -73.63 35.44 0.09 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.042 -1.037 . . . . 0.0 109.531 -179.264 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -87.04 -20.93 26.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.041 -1.037 . . . . 0.0 109.827 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.48 -22.33 35.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.062 -1.024 . . . . 0.0 109.254 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -114.23 -45.11 3.06 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.45 135.42 33.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.07 142.31 54.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.372 -0.83 . . . . 0.0 109.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 110.94 6.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.195 -0.94 . . . . 0.0 108.521 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.422 ' H ' HG23 ' B' ' 47' ' ' ILE . 1.5 pt -75.77 128.92 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.97 . . . . 0.0 110.353 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -92.65 -8.15 44.9 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -123.49 132.92 54.06 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -73.91 -13.57 60.92 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 108.938 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -39.06 -48.91 1.71 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.557 -0.714 . . . . 0.0 112.098 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 m -71.54 -35.37 56.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.484 -1.385 . . . . 0.0 107.996 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -66.65 -23.98 32.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.505 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 97.7 m-20 -79.08 -35.98 41.54 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.33 -47.66 19.4 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.7 OUTLIER -53.15 -43.31 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -50.61 -38.47 45.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -63.0 -29.35 70.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 56' ' ' VAL . 29.8 m -87.57 -28.6 21.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.438 -0.789 . . . . 0.0 109.61 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.23 -48.99 4.63 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.26 -0.9 . . . . 0.0 110.467 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 44.7 t0 -55.9 104.14 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.661 -1.274 . . . . 0.0 109.86 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -90.76 -40.57 11.74 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.3 p30 -80.63 -4.67 55.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.23 46.59 78.31 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 14.9 p30 -100.46 -5.28 27.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.248 -1.148 . . . . 0.0 110.025 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.21 -2.86 25.49 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 65' ' ' ASP . 37.1 mt-10 -117.88 169.94 9.22 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' B' ' 69' ' ' ASP . 96.2 m -122.53 89.07 3.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.393 -0.817 . . . . 0.0 109.664 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' B' ' 68' ' ' CYS . 1.4 m-20 -52.44 -175.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.9 . . . . 0.0 108.579 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.1 p90 -73.18 -28.47 62.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.807 -1.183 . . . . 0.0 111.132 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -70.15 -47.17 62.78 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.886 . . . . 0.0 111.833 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.4 pt-20 -86.98 -30.16 21.47 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.557 -1.34 . . . . 0.0 108.56 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' B' ' 27' ' ' LEU . 2.0 t80 -52.57 -46.7 66.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 108.17 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -53.38 -19.31 3.3 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 30.3 t80 -72.81 -53.57 11.16 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.835 -1.166 . . . . 0.0 107.914 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.31 -32.85 45.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.68 ' O ' HG23 ' B' ' 82' ' ' THR . 22.1 p -59.44 -38.18 80.05 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.585 0.707 . . . . 0.0 109.249 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.9 ttm -71.98 -27.85 63.03 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.27 -39.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 70.9 m -66.84 -36.56 82.63 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.7 HG21 ' CD1' ' A' ' 70' ' ' PHE . 27.0 p -67.28 -39.18 86.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.995 -1.066 . . . . 0.0 111.221 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.03 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.562 -1.336 . . . . 0.0 109.058 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 18.9 t -61.29 -10.79 7.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.772 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 t-80 -106.05 -35.03 7.38 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -75.36 -46.0 35.82 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.227 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.01 -27.85 67.76 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.095 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 3.0 m-85 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 109.124 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD11 HG11 ' B' ' 77' ' ' VAL . 21.2 tp -75.82 -24.98 55.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' CD ' ' CD1' ' B' ' 43' ' ' PHE . 17.5 tp10 -70.96 -37.14 72.78 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -40.67 96.02 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.7 -57.38 11.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.802 -0.562 . . . . 0.0 111.012 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -34.45 63.59 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.952 -1.093 . . . . 0.0 108.874 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.66 -56.48 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.973 -1.079 . . . . 0.0 108.621 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.62 59.26 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.43 0.634 . . . . 0.0 109.713 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -45.35 36.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.323 -0.86 . . . . 0.0 110.181 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -46.0 -34.97 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.901 -1.124 . . . . 0.0 108.999 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.95 -52.28 15.16 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.857 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.47 -26.71 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.034 . . . . 0.0 109.112 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -71.31 -52.45 18.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.004 -1.06 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.525 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 8.1 t-80 -71.51 -32.85 68.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 0.0 110.721 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 3.8 tp-100 -67.24 -43.34 82.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.632 -1.292 . . . . 0.0 110.28 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 45.6 m-85 -86.67 -57.2 3.08 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.762 -1.211 . . . . 0.0 109.023 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -56.34 -29.86 61.88 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.236 -0.915 . . . . 0.0 108.948 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.2 1.72 77.51 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.38 -46.64 63.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.919 -1.342 . . . . 0.0 108.812 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.64 170.55 15.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.488 -0.757 . . . . 0.0 109.928 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.76 -170.48 38.28 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.749 -1.341 . . . . 0.0 109.749 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -48.72 -64.04 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -1.146 . . . . 0.0 108.766 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.8 tmtp? -178.19 -4.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.6 m-70 -153.51 50.3 0.69 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.066 -1.021 . . . . 0.0 110.761 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -133.02 145.74 51.11 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -94.41 125.67 39.2 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.387 -0.82 . . . . 0.0 111.038 -178.453 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -110.35 157.54 19.4 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -48.8 -44.14 38.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.773 -1.204 . . . . 0.0 109.447 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 m -51.61 -18.31 1.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.97 . . . . 0.0 108.932 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 35' ' ' LEU . 61.2 mt-10 -100.99 -38.57 8.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.625 -0.672 . . . . 0.0 109.345 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -44.56 76.06 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.05 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.94 -36.24 69.85 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 108.543 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 37.2 tt0 -79.97 -32.73 39.83 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.543 -0.723 . . . . 0.0 109.95 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 30.4 tp -71.6 -34.75 70.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -70.01 -38.35 75.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -81.21 -23.31 38.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 111.492 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.707 ' N ' HD22 ' A' ' 38' ' ' ASN . 0.7 OUTLIER -91.36 -44.0 9.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.659 -1.276 . . . . 0.0 111.896 -177.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -106.57 -57.74 2.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 3' ' ' LEU . 2.4 mt -81.09 34.93 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.148 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -20.18 29.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.945 -1.097 . . . . 0.0 109.532 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.72 -22.99 19.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.197 -0.939 . . . . 0.0 109.842 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CD1' ' CD ' ' B' ' 4' ' ' GLU . 41.1 m-85 -106.79 -51.8 2.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.466 -0.771 . . . . 0.0 109.71 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.2 mm? -89.57 134.38 34.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.048 -1.032 . . . . 0.0 108.803 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.629 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.9 pm0 -54.02 135.26 43.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.757 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 100.64 0.52 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.86 . . . . 0.0 109.136 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 pt -67.8 131.93 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.081 -1.012 . . . . 0.0 109.681 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -102.81 -15.06 16.36 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 mp0 -117.4 139.93 50.24 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -75.37 -16.6 60.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.33 -41.13 3.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.095 -1.003 . . . . 0.0 111.309 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.3 m -77.05 -37.94 27.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 120.71 -1.244 . . . . 0.0 107.864 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -62.1 -24.16 33.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -78.94 -35.94 42.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -72.41 -52.65 15.03 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.187 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 57' ' ' MET . 4.9 p -56.2 -41.57 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.006 -1.059 . . . . 0.0 108.442 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 17.3 mmm -63.5 -31.25 72.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.432 -0.792 . . . . 0.0 109.098 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.78 -32.16 73.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.436 -0.79 . . . . 0.0 109.535 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.7 m -88.09 -36.07 17.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.262 -0.899 . . . . 0.0 110.076 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.76 -46.96 13.51 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.083 -1.011 . . . . 0.0 110.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 43.7 t0 -55.75 108.92 0.49 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.406 -1.433 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -90.55 -45.68 8.78 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.2 p-10 -75.72 -1.55 25.43 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 44.49 85.59 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.279 -1.929 . . . . 0.0 108.279 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 52.4 p-10 -97.14 -3.57 40.85 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.376 -1.073 . . . . 0.0 109.76 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.73 0.42 68.32 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 107.896 -2.082 . . . . 0.0 107.896 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -126.29 170.69 11.63 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 4.7 m -124.65 97.16 5.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.608 -0.683 . . . . 0.0 111.138 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' CYS . 41.7 t0 -53.82 -172.72 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.683 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -78.32 -29.76 47.88 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.542 -1.349 . . . . 0.0 111.74 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.509 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.38 -37.59 65.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.749 -1.219 . . . . 0.0 111.131 -177.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 3.8 pt-20 -91.71 -34.39 14.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.509 -1.369 . . . . 0.0 108.909 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.6 t80 -52.56 -46.57 66.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.63 -1.294 . . . . 0.0 108.155 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.43 -21.89 2.65 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.605 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.34 -50.37 27.27 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.657 -1.277 . . . . 0.0 108.131 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.585 HG11 HD11 ' B' ' 3' ' ' LEU . 25.3 t -54.31 -36.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 82' ' ' THR . 90.0 p -71.92 -28.36 63.43 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.572 -0.705 . . . . 0.0 109.55 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 ttt -73.35 -33.29 65.02 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.56 -30.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -69.28 -38.43 78.35 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 78' ' ' SER . 7.1 p -61.13 -39.1 88.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.368 -0.832 . . . . 0.0 109.92 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.63 84.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.746 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.89 -21.72 59.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.405 -0.81 . . . . 0.0 109.505 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.518 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 4.3 t-80 -89.59 -37.95 14.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.309 -0.869 . . . . 0.0 109.332 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -74.42 -35.53 63.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.142 -0.974 . . . . 0.0 109.375 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.42 -50.14 74.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.1 t80 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.582 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 77' ' ' VAL . 20.7 tp -75.73 -25.11 56.31 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.44 ' CD ' ' CD1' ' A' ' 43' ' ' PHE . 17.7 tp10 -70.93 -37.09 72.88 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -56.81 13.76 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.741 -0.6 . . . . 0.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -34.09 63.43 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.893 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.83 -56.19 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.124 -0.985 . . . . 0.0 108.574 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -30.39 60.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.703 -0.623 . . . . 0.0 109.671 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -75.9 -45.2 36.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.331 -0.856 . . . . 0.0 110.208 -179.529 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.09 -34.9 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.978 -1.076 . . . . 0.0 108.983 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.1 -52.11 15.51 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.45 -26.82 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.076 -1.015 . . . . 0.0 109.24 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.4 t80 -71.59 -52.08 19.96 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.064 -1.055 . . . . 0.0 109.769 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.518 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 8.1 t-80 -71.66 -32.75 68.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 16' ' ' GLN . 3.8 tp-100 -67.39 -43.27 81.77 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.525 -1.36 . . . . 0.0 110.273 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 45.6 m-85 -86.77 -57.27 3.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.758 -1.214 . . . . 0.0 109.069 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -56.12 -30.1 61.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.087 -1.008 . . . . 0.0 108.927 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.89 1.41 78.01 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -70.2 -46.54 64.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.379 . . . . 0.0 108.815 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.89 170.59 15.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.48 -0.763 . . . . 0.0 109.955 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.7 -170.46 38.37 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.56 -64.04 0.91 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -1.203 . . . . 0.0 108.782 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.546 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.7 tmtp? -178.23 -4.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.5 m-70 -153.43 50.46 0.7 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 110.643 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -132.97 145.79 51.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -94.57 125.49 39.25 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.3 -0.875 . . . . 0.0 111.015 -178.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -110.24 157.41 19.48 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' B' ' 31' ' ' GLU . 43.7 mtmt -48.69 -44.06 37.65 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.91 -1.119 . . . . 0.0 109.541 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 32.9 m -51.75 -18.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.14 -0.975 . . . . 0.0 108.921 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' LEU . 60.9 mt-10 -100.96 -38.48 8.19 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -44.53 75.73 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.137 -0.977 . . . . 0.0 109.107 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.96 -36.32 69.82 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.173 -0.954 . . . . 0.0 108.579 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 37.2 tt0 -79.96 -32.98 39.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.583 -0.698 . . . . 0.0 109.876 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 31' ' ' GLU . 28.3 tp -71.22 -34.98 71.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.082 -1.012 . . . . 0.0 108.553 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.97 -38.18 74.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -81.15 -23.52 38.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 111.509 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.699 ' N ' HD22 ' B' ' 38' ' ' ASN . 0.7 OUTLIER -91.21 -44.0 9.5 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.603 -1.311 . . . . 0.0 111.948 -177.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -106.72 -57.89 2.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.032 -1.042 . . . . 0.0 110.174 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 3' ' ' LEU . 2.6 mt -80.53 34.74 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.393 -0.817 . . . . 0.0 109.071 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -20.02 29.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 109.489 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.82 -23.03 18.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.243 -0.911 . . . . 0.0 109.822 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 4' ' ' GLU . 41.1 m-85 -106.77 -51.27 2.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.344 -0.848 . . . . 0.0 109.722 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.405 ' N ' HD22 ' B' ' 44' ' ' LEU . 4.2 mm? -90.32 134.18 34.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.971 -1.081 . . . . 0.0 108.779 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 1.9 pm0 -53.63 135.34 40.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.0 109.85 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.54 100.9 0.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.35 -0.844 . . . . 0.0 109.145 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 pt -68.01 131.75 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.076 -1.015 . . . . 0.0 109.576 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -102.79 -15.01 16.38 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' B' ' 49' ' ' GLU . 7.2 mp0 -117.47 139.97 50.22 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -75.64 -16.49 60.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -43.45 -40.85 4.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 0.0 111.337 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.07 -38.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 120.639 -1.288 . . . . 0.0 107.818 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -62.08 -24.21 33.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 106.87 -1.529 . . . . 0.0 106.87 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -78.63 -36.18 44.42 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -72.1 -52.62 15.91 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' B' ' 57' ' ' MET . 4.7 p -56.54 -41.13 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.954 -1.091 . . . . 0.0 108.432 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.553 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 17.5 mmm -63.77 -31.09 72.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.387 -0.821 . . . . 0.0 109.088 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.82 -32.37 74.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.851 . . . . 0.0 109.587 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.1 m -87.88 -36.16 17.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.345 -0.847 . . . . 0.0 110.088 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.78 -46.98 13.45 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.105 -0.997 . . . . 0.0 110.472 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 43.4 t0 -55.66 108.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.346 -1.471 . . . . 0.0 109.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -90.52 -45.81 8.72 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 16.7 p-10 -75.58 -1.47 24.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 44.47 84.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 52.7 p-10 -97.1 -3.65 40.84 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.392 -1.063 . . . . 0.0 109.7 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.29 68.95 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 107.995 -2.042 . . . . 0.0 107.995 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -126.38 170.96 11.4 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.553 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 4.4 m -124.9 96.96 5.07 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.648 -0.657 . . . . 0.0 111.252 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 68' ' ' CYS . 41.7 t0 -53.67 -172.75 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.671 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -78.13 -29.97 49.1 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.486 -1.384 . . . . 0.0 111.692 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -73.11 -37.86 66.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.807 -1.183 . . . . 0.0 111.204 -177.593 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 3.7 pt-20 -91.61 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.516 -1.365 . . . . 0.0 109.001 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -52.43 -46.61 66.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.588 -1.32 . . . . 0.0 108.165 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -44.09 91.7 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.49 -21.82 2.7 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.55 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.27 -50.28 28.37 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.586 -1.322 . . . . 0.0 108.063 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 3' ' ' LEU . 26.0 t -54.38 -36.57 34.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 97.8 p -71.91 -28.32 63.42 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.56 0.695 . . . . 0.0 109.666 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.15 -33.51 65.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 109.81 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.4 -31.08 5.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m -69.2 -38.27 78.52 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 6.9 p -61.17 -39.54 90.53 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.368 -0.833 . . . . 0.0 109.902 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.71 84.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.017 -1.052 . . . . 0.0 108.807 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.91 -21.82 59.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.525 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 4.4 t-80 -89.42 -37.94 14.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.171 -0.956 . . . . 0.0 109.341 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -74.4 -35.48 63.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.118 -0.989 . . . . 0.0 109.397 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.67 -50.12 74.78 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.365 -0.834 . . . . 0.0 109.375 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.7 t80 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.383 -0.823 . . . . 0.0 109.919 -179.607 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.721 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.6 mm? -81.19 -25.72 36.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.095 -1.003 . . . . 0.0 109.422 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.3 tt0 -76.37 -22.67 54.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.923 -1.111 . . . . 0.0 108.32 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.39 -52.05 9.79 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -54.28 35.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 0.0 110.346 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.1 mtt -55.27 -37.57 67.46 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.096 -1.002 . . . . 0.0 109.776 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 4' ' ' GLU . 72.1 t -77.5 -46.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.986 -1.071 . . . . 0.0 109.158 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -32.76 71.45 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.396 -0.815 . . . . 0.0 109.454 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.66 -48.1 14.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.009 -1.057 . . . . 0.0 110.785 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mt -45.61 -30.9 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.973 -1.08 . . . . 0.0 109.426 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -75.21 -47.63 27.32 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.214 -0.929 . . . . 0.0 108.799 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.48 -26.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.121 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -71.92 -51.69 20.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.872 . . . . 0.0 110.001 -179.314 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 2.3 t-160 -74.75 -26.37 59.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.903 -1.123 . . . . 0.0 110.689 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -67.62 -40.79 84.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.809 -1.182 . . . . 0.0 110.222 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -91.69 -58.37 2.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.875 -1.141 . . . . 0.0 109.382 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.118 -0.989 . . . . 0.0 108.45 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.45 -1.96 53.57 Favored Glycine 0 N--CA 1.497 2.712 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' NH1' ' CD ' ' A' ' 21' ' ' GLU . 66.7 ttt-85 -55.35 -38.72 69.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.873 -1.369 . . . . 0.0 109.495 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 17.6 pt-20 -166.82 172.65 10.2 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.447 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' ' HZ1' ' A' ' 28' ' ' LYS . . . 69.55 -147.93 46.16 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 5.6 m-20 -47.17 171.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.63 -0.924 . . . . 0.0 109.492 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.01 -5.08 42.09 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.402 ' C ' ' OG ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -170.47 67.92 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.173 -1.579 . . . . 0.0 112.313 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 18' ' ' SER . 37.7 mtpt -141.7 148.21 38.71 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.537 -1.352 . . . . 0.0 107.506 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 73' ' ' PHE . 3.6 mp -95.19 134.09 38.32 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 122.215 1.007 . . . . 0.0 111.24 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 45.5 mttp -112.01 156.44 22.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 8.7 mtmp? -48.1 -38.57 17.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.731 -1.231 . . . . 0.0 108.607 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.7 m -54.29 -18.16 3.71 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 53.9 mt-10 -100.54 -42.6 6.5 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -64.49 -49.83 69.84 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.138 -0.977 . . . . 0.0 108.926 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -66.77 -38.91 87.5 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.916 -1.115 . . . . 0.0 109.147 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.98 -31.3 56.42 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.215 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' GLU . 20.3 tp -76.33 -28.66 56.97 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 108.945 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 32' ' ' LEU . 56.8 mt -76.03 -41.9 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -80.11 -23.41 41.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.61 -43.84 8.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.141 -0.974 . . . . 0.0 111.622 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.4 mm-40 -107.76 -65.57 1.1 Allowed 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.017 -1.052 . . . . 0.0 110.966 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.57 28.61 0.06 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 109.397 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -79.57 -17.66 53.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.978 -1.076 . . . . 0.0 110.702 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.94 -25.25 16.62 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.851 -1.156 . . . . 0.0 110.299 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -108.98 -28.36 9.15 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.254 -0.904 . . . . 0.0 109.168 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -113.04 127.26 56.17 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.7 pm0 -49.49 132.11 20.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.404 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.07 100.79 0.79 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 0.0 108.848 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 pt -63.39 138.94 22.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 109.845 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -106.7 -17.68 14.16 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -115.96 136.44 53.03 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.4 -18.55 60.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.151 -0.968 . . . . 0.0 109.711 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -45.04 -38.62 5.04 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 111.183 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.1 m -77.28 -38.36 26.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 120.701 -1.249 . . . . 0.0 107.671 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -25.03 35.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 178.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.35 -29.99 42.47 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HZ3' ' N ' ' A' ' 56' ' ' VAL . 1.4 ttpm? -77.75 -55.78 5.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.638 ' N ' ' HZ3' ' A' ' 55' ' ' LYS . 2.5 p -51.84 -42.82 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 53' ' ' VAL . 10.1 mtp -61.75 -31.66 71.86 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 23.4 tt0 -67.11 -27.6 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.5 m -87.45 -28.12 22.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.606 -0.684 . . . . 0.0 109.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -99.24 -41.81 7.31 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.32 -0.863 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' MET . 6.2 m-20 -55.47 108.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.475 -1.391 . . . . 0.0 110.03 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -90.03 -42.53 11.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 20.9 p-10 -79.09 -2.81 42.32 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.66 45.69 93.02 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -94.41 -5.19 46.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 109.546 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.99 4.1 58.01 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.371 -1.891 . . . . 0.0 108.371 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -125.69 175.0 7.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 69' ' ' ASP . 90.3 m -127.16 90.62 3.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' CYS . 6.8 m-20 -53.4 -169.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.82 -55.84 5.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.314 -1.491 . . . . 0.0 111.145 -178.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.34 -29.52 48.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -88.79 -42.43 11.91 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.964 -1.085 . . . . 0.0 108.677 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 2.2 t80 -59.22 -37.84 78.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.24 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.05 86.73 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.0 -18.55 1.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 80' ' ' VAL . 21.9 t80 -74.92 -55.48 5.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.86 -1.15 . . . . 0.0 109.029 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.449 ' O ' ' OG1' ' A' ' 81' ' ' THR . 55.8 t -54.67 -30.95 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.826 -1.171 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.788 ' O ' HG23 ' A' ' 82' ' ' THR . 9.0 t -67.19 -34.79 78.26 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.35 -0.844 . . . . 0.0 109.277 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.02 -28.91 60.68 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.458 -0.776 . . . . 0.0 109.511 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -87.5 -31.56 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 178.184 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.492 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.5 m -73.79 -35.74 64.96 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 78' ' ' SER . 21.0 p -68.14 -37.26 80.88 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.163 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.92 74.78 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.777 -1.202 . . . . 0.0 108.509 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.27 -22.23 51.76 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.42 ' CE1' ' ND1' ' B' ' 15' ' ' HIS . 10.6 t60 -92.76 -35.46 13.43 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . 10.1 tp10 -66.13 -50.64 63.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 0.0 109.312 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.48 -34.66 75.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 108.836 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.561 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.721 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.6 mm? -81.16 -25.88 36.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.093 -1.004 . . . . 0.0 109.34 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 24.5 tt0 -76.19 -22.86 54.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 108.302 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -77.27 -51.96 10.01 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.54 31.48 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 110.364 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 6.0 mtt -54.92 -37.57 66.56 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.157 -0.964 . . . . 0.0 109.771 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' GLU . 71.4 t -77.58 -46.06 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.942 -1.099 . . . . 0.0 109.085 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.87 71.42 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.519 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -79.65 -47.98 14.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.956 -178.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -45.82 -30.8 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.97 -1.081 . . . . 0.0 109.332 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.09 -47.65 27.7 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 108.856 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.66 -26.44 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.35 -0.844 . . . . 0.0 109.068 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -71.74 -51.92 20.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.261 -0.899 . . . . 0.0 110.019 -179.402 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 2.3 t-160 -74.53 -26.19 59.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.848 -1.158 . . . . 0.0 110.74 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.86 -40.69 83.6 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.764 -1.21 . . . . 0.0 110.165 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.904 -1.122 . . . . 0.0 109.373 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -52.58 -22.85 5.43 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.366 179.376 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.41 -1.87 53.66 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CD ' ' B' ' 21' ' ' GLU . 66.8 ttt-85 -55.41 -38.76 69.34 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.862 -1.375 . . . . 0.0 109.514 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 17.2 pt-20 -166.71 172.76 10.24 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.461 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.462 ' HA3' ' HZ1' ' B' ' 28' ' ' LYS . . . 69.44 -147.93 46.33 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 5.6 m-20 -47.04 171.84 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.582 -0.952 . . . . 0.0 109.549 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -74.97 -5.15 42.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.618 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.406 ' C ' ' OG ' ' B' ' 18' ' ' SER . 1.0 OUTLIER -170.54 67.89 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.179 -1.575 . . . . 0.0 112.269 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.456 ' N ' ' OG ' ' B' ' 18' ' ' SER . 37.7 mtpt -141.65 148.39 39.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.548 -1.345 . . . . 0.0 107.616 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' B' ' 73' ' ' PHE . 3.5 mp -95.25 134.13 38.36 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 122.281 1.038 . . . . 0.0 111.239 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 45.9 mttp -112.05 156.37 22.32 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 8.6 mtmp? -47.87 -38.86 17.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.642 -1.286 . . . . 0.0 108.61 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -18.13 3.72 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' B' ' 35' ' ' LEU . 53.4 mt-10 -100.63 -42.42 6.54 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.73 -50.02 68.54 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.389 -0.924 . . . . 0.0 108.838 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.43 -38.98 88.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.844 -1.16 . . . . 0.0 109.133 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.91 -31.42 56.67 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.312 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 31' ' ' GLU . 19.7 tp -76.32 -28.78 57.05 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.203 -0.935 . . . . 0.0 108.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 32' ' ' LEU . 57.0 mt -75.99 -41.65 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.433 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -80.22 -23.38 40.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 110.198 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -92.53 -44.02 8.85 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.096 -1.002 . . . . 0.0 111.633 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.3 mm-40 -107.52 -65.61 1.09 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -72.47 28.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.443 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.1 p -79.57 -17.6 53.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 110.697 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.89 -25.1 16.71 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.903 -1.123 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -109.0 -28.54 9.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.245 -0.909 . . . . 0.0 109.193 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.85 127.29 56.14 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.632 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 4.7 pm0 -49.52 132.05 21.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.357 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.08 100.84 0.8 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 108.798 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 pt -63.35 138.87 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.959 -1.088 . . . . 0.0 109.767 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.7 -17.77 14.14 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.8 136.42 53.07 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.44 -18.4 60.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.23 -0.919 . . . . 0.0 109.683 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -45.05 -38.61 5.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.025 -1.047 . . . . 0.0 111.303 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.1 m -77.18 -38.59 27.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.442 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -24.92 35.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -79.51 -29.81 41.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.684 ' HZ3' ' N ' ' B' ' 56' ' ' VAL . 1.4 ttpm? -77.83 -55.83 5.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.684 ' N ' ' HZ3' ' B' ' 55' ' ' LYS . 2.5 p -51.78 -42.74 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.503 ' O ' ' N ' ' B' ' 61' ' ' ASP . 10.1 mtp -61.8 -31.63 71.86 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 55' ' ' LYS . 23.3 tt0 -67.11 -27.86 67.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -87.13 -28.18 22.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.28 -41.89 7.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.36 -0.838 . . . . 0.0 110.745 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 57' ' ' MET . 6.2 m-20 -55.47 108.86 0.47 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.505 -1.372 . . . . 0.0 109.989 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -89.96 -42.82 10.96 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 21.1 p-10 -78.87 -2.52 40.17 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.33 45.87 92.37 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -94.46 -5.28 46.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.447 -1.031 . . . . 0.0 109.552 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.03 4.21 58.5 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -125.84 174.97 7.98 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' B' ' 69' ' ' ASP . 89.1 m -127.19 90.58 3.16 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.246 -0.909 . . . . 0.0 110.513 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 68' ' ' CYS . 7.0 m-20 -53.33 -169.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.92 -55.81 5.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.418 -1.426 . . . . 0.0 111.179 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.26 -29.43 46.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.895 -1.128 . . . . 0.0 110.363 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -88.88 -42.4 11.87 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 108.691 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 2.2 t80 -59.29 -37.81 78.62 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.282 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.1 86.54 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.95 -18.6 1.41 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.581 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.456 ' O ' HG13 ' B' ' 80' ' ' VAL . 22.0 t80 -74.84 -55.41 5.84 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.845 -1.159 . . . . 0.0 109.089 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.451 ' O ' ' OG1' ' B' ' 81' ' ' THR . 55.1 t -54.69 -30.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.785 ' O ' HG23 ' B' ' 82' ' ' THR . 9.5 t -67.28 -34.83 78.24 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.268 -0.895 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -74.87 -29.16 60.93 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.427 -0.796 . . . . 0.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.456 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -87.19 -31.78 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.132 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 43.8 m -73.78 -35.48 64.95 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.785 HG23 ' O ' ' B' ' 78' ' ' SER . 20.6 p -68.39 -37.21 80.17 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.183 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.15 74.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.628 -1.295 . . . . 0.0 108.473 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 -22.17 49.4 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.401 ' CE1' ' ND1' ' A' ' 15' ' ' HIS . 11.0 t60 -92.8 -35.54 13.35 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.1 tp10 -66.02 -50.52 63.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 0.0 109.423 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -61.58 -34.51 75.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.333 -0.855 . . . . 0.0 108.84 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.827 HD13 HD21 ' B' ' 40' ' ' LEU . 3.7 mt -75.71 -23.05 56.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 0.0 109.319 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.65 -28.26 33.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.977 -1.077 . . . . 0.0 108.758 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.33 -44.72 67.62 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.34 -46.79 84.99 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.415 -0.803 . . . . 0.0 109.362 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.0 mtt -53.83 -43.02 69.1 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 109.026 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.26 -51.91 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.356 -0.84 . . . . 0.0 109.881 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -31.3 64.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.406 -0.808 . . . . 0.0 110.26 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 14' ' ' PHE . 2.5 mt -79.18 -45.79 19.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.818 -1.176 . . . . 0.0 110.789 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -46.98 -33.85 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.901 -1.125 . . . . 0.0 109.66 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.34 -51.96 13.61 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.072 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.39 -25.46 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 0.0 109.328 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.9 t80 -69.61 -45.26 68.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.218 -0.926 . . . . 0.0 110.234 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.87 51.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.974 -1.079 . . . . 0.0 111.087 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.77 -42.32 81.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.856 -1.152 . . . . 0.0 111.099 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' GLY . 43.6 m-85 -84.51 -59.46 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.596 -1.315 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -52.22 -20.39 2.6 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.783 -1.198 . . . . 0.0 107.963 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' TYR . . . -99.54 4.78 58.31 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -74.61 -49.09 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.734 -1.451 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 6.0 tt0 -135.02 162.98 30.92 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.227 -0.921 . . . . 0.0 110.025 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 84.0 -172.96 50.19 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.94 34.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -1.148 . . . . 0.0 108.376 178.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 22' ' ' GLY . 21.0 pttm 45.59 171.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.905 0.859 . . . . 0.0 111.703 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 64.61 0.26 1.09 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.611 -0.681 . . . . 0.0 109.434 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 21.4 mmtt -125.42 142.83 51.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 28' ' ' LYS . 1.6 tm? -89.36 120.8 31.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.354 -0.841 . . . . 0.0 109.669 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.28 148.02 26.83 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' GLU . 33.9 mtmm -46.19 -47.38 17.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.526 -1.359 . . . . 0.0 109.738 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -51.99 -12.39 0.22 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mt-10 -102.86 -37.97 7.61 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -61.58 2.22 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -58.72 -39.0 79.57 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.973 -1.079 . . . . 0.0 109.626 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -76.43 -30.63 57.47 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.206 -0.934 . . . . 0.0 110.453 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' GLU . 56.4 tp -74.66 -33.11 62.43 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.064 -1.023 . . . . 0.0 108.245 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 47' ' ' ILE . 1.5 mm -69.53 -43.73 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.639 -0.663 . . . . 0.0 109.739 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.4 t-20 -84.57 -25.38 28.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.326 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.47 -46.99 9.11 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.553 -1.342 . . . . 0.0 111.982 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.0 tt0 -104.19 -57.49 2.02 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.874 -1.141 . . . . 0.0 110.601 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.846 HD21 HD13 ' B' ' 3' ' ' LEU . 7.6 mt -76.18 32.75 0.12 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.108 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.39 -16.66 36.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.016 -1.052 . . . . 0.0 110.366 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.13 -20.48 15.97 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.947 -1.096 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.56 -47.4 3.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.495 -0.753 . . . . 0.0 109.457 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.56 139.23 35.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -47.33 128.9 12.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.3 -0.875 . . . . 0.0 109.602 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.5 mp0 -58.54 100.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.191 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' A' ' 36' ' ' ILE . 8.7 mt -65.58 124.55 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -0.965 . . . . 0.0 108.501 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -112.84 -21.82 10.98 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.24 150.55 20.79 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.13 -27.81 16.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.115 -0.99 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -51.53 -29.8 18.12 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 0.0 110.325 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.1 -37.07 39.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.756 -1.215 . . . . 0.0 108.017 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -23.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.55 -34.05 60.69 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.15 -49.35 14.01 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -40.46 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 3.0 mmt -64.09 -27.69 69.27 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -65.86 -37.07 85.21 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.3 m -83.93 -28.59 27.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.469 -0.77 . . . . 0.0 109.311 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.5 mm? -95.05 -47.25 6.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.253 -0.904 . . . . 0.0 110.929 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.2 t0 -57.26 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.964 -1.71 . . . . 0.0 109.569 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 60' ' ' LEU . 14.3 tp10 -91.27 -29.95 16.89 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.5 p-10 -82.73 -5.05 58.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.0 45.59 96.3 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.2 p-10 -103.47 -6.17 22.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.502 -0.999 . . . . 0.0 109.265 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.92 -5.21 6.49 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.416 -1.873 . . . . 0.0 108.416 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 65' ' ' ASP . 47.7 mt-10 -122.35 170.61 9.76 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.508 ' O ' ' O ' ' A' ' 69' ' ' ASP . 54.9 m -127.33 94.57 4.03 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.35 -173.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.5 p90 -69.95 -30.31 67.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.412 -1.43 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -77.5 -28.99 52.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.078 . . . . 0.0 110.538 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -91.41 -41.61 10.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.617 -1.302 . . . . 0.0 109.948 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.48 -39.23 83.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.852 -1.155 . . . . 0.0 108.382 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.47 ' SD ' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -76.0 -16.18 60.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.17 -0.956 . . . . 0.0 108.455 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.04 -24.13 61.49 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.45 -41.9 60.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.458 -0.776 . . . . 0.0 109.42 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.71 -39.88 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 118.463 -1.295 . . . . 0.0 107.563 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 21.5 p -63.58 -37.68 88.24 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.412 ' SD ' HD21 ' A' ' 60' ' ' LEU . 2.4 ttp -68.57 -25.74 65.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -83.44 -37.91 13.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.2 m -64.83 -40.8 95.76 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 35.8 p -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.169 -0.957 . . . . 0.0 110.632 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.8 -28.89 52.59 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.839 -1.163 . . . . 0.0 108.171 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 m -80.8 -10.73 59.7 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.45 -41.95 5.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.606 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -79.51 -30.91 42.1 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.777 -1.202 . . . . 0.0 110.243 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.21 -47.99 69.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.096 -1.002 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 121.15 -0.969 . . . . 0.0 109.451 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.846 HD13 HD21 ' A' ' 40' ' ' LEU . 3.7 mt -75.56 -23.08 56.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.0 109.299 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.69 -28.29 33.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.92 -1.112 . . . . 0.0 108.781 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.35 -44.69 67.62 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.52 85.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.6 mtt -54.03 -42.76 69.52 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.088 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.47 -51.91 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.405 -0.809 . . . . 0.0 109.834 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.39 63.84 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.416 -0.802 . . . . 0.0 110.223 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.464 HD13 ' SD ' ' B' ' 74' ' ' MET . 2.4 mt -79.19 -45.89 18.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.805 -1.185 . . . . 0.0 110.781 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -46.88 -33.91 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.975 -1.078 . . . . 0.0 109.618 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -74.33 -51.99 13.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.174 -0.954 . . . . 0.0 109.969 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.31 -25.62 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 109.209 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.9 t80 -69.53 -45.37 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.235 -0.915 . . . . 0.0 110.224 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.82 51.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.974 -1.079 . . . . 0.0 111.047 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.91 -42.19 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.927 -1.108 . . . . 0.0 111.118 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' B' ' 31' ' ' GLU . 43.3 m-85 -84.5 -59.39 2.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.546 -1.346 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -52.31 -20.38 2.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.778 -1.201 . . . . 0.0 107.924 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 5.03 58.29 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -74.76 -49.14 22.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.686 -1.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.404 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 6.0 tt0 -134.9 162.97 30.91 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.13 -0.981 . . . . 0.0 109.995 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 83.97 -172.99 50.26 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -74.86 34.33 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -1.099 . . . . 0.0 108.37 179.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' B' ' 22' ' ' GLY . 21.0 pttm 45.65 171.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.886 0.851 . . . . 0.0 111.755 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 64.55 0.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.659 -0.65 . . . . 0.0 109.382 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 21.0 mmtt -125.4 142.85 51.27 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 28' ' ' LYS . 1.6 tm? -89.27 120.73 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 109.704 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.588 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -104.26 148.15 26.67 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' B' ' 31' ' ' GLU . 33.8 mtmm -46.11 -47.41 17.32 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.509 -1.37 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.7 m -51.99 -12.41 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.218 -0.926 . . . . 0.0 110.079 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 35' ' ' LEU . 15.3 mt-10 -102.81 -38.06 7.59 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -61.74 2.12 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -58.54 -39.04 79.07 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.894 -1.128 . . . . 0.0 109.666 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -76.39 -30.57 57.56 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.478 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' ' 31' ' ' GLU . 56.7 tp -74.84 -32.97 62.08 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' B' ' 47' ' ' ILE . 1.5 mm -69.61 -43.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.58 -0.7 . . . . 0.0 109.755 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 16.6 t-20 -84.46 -25.35 28.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 111.338 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -87.5 -47.0 9.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.551 -1.343 . . . . 0.0 111.989 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' B' ' 41' ' ' SER . 39.7 tt0 -104.19 -57.5 2.02 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.875 -1.141 . . . . 0.0 110.602 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 3' ' ' LEU . 7.7 mt -76.21 32.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.162 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.448 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.43 -16.67 36.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.943 -1.098 . . . . 0.0 110.32 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -100.08 -20.52 15.98 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.875 -1.141 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.61 -47.39 3.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.399 -0.813 . . . . 0.0 109.425 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -99.44 139.2 35.44 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -47.32 128.93 12.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.5 mp0 -58.44 100.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.555 -0.715 . . . . 0.0 110.225 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' B' ' 36' ' ' ILE . 8.9 mt -65.57 124.53 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 108.518 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -112.8 -21.88 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.25 150.6 20.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -93.12 -27.88 16.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.139 -0.975 . . . . 0.0 109.511 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -51.65 -29.6 18.45 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.392 -0.817 . . . . 0.0 110.382 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.23 -37.08 38.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.78 -1.2 . . . . 0.0 108.026 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -23.86 30.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.64 -34.03 60.51 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.02 -49.39 14.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -40.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' ASP . 3.0 mmt -64.19 -27.62 69.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.94 -37.04 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.0 108.635 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.2 m -83.9 -28.64 27.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.577 -0.702 . . . . 0.0 109.303 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 62' ' ' GLU . 4.5 mm? -94.93 -47.44 6.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 110.971 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.1 t0 -57.28 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.99 -1.694 . . . . 0.0 109.575 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 60' ' ' LEU . 14.4 tp10 -91.17 -30.1 16.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.7 p-10 -82.64 -5.08 58.63 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.04 45.56 96.35 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 67' ' ' GLU . 38.3 p-10 -103.47 -6.1 22.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.437 -1.037 . . . . 0.0 109.346 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.405 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.74 -5.11 6.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' B' ' 65' ' ' ASP . 47.4 mt-10 -122.31 170.45 9.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 54.9 m -127.29 94.66 4.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.089 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.3 OUTLIER -50.28 -173.31 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.73 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.5 p90 -69.8 -30.44 67.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.368 -1.457 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.39 -29.06 52.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.983 -1.073 . . . . 0.0 110.574 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.38 -41.78 10.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.631 -1.293 . . . . 0.0 109.976 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.45 -39.18 82.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.807 -1.183 . . . . 0.0 108.365 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.464 ' SD ' HD13 ' B' ' 10' ' ' LEU . 6.9 ttt -76.01 -16.08 60.03 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.058 -1.026 . . . . 0.0 108.421 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.18 -24.01 61.36 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -74.62 -42.14 59.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.488 -0.757 . . . . 0.0 109.329 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.47 -39.75 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 118.451 -1.3 . . . . 0.0 107.669 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 20.8 p -63.63 -37.77 88.58 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.4 ' SD ' HD21 ' B' ' 60' ' ' LEU . 2.4 ttp -68.61 -25.7 64.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.42 -37.8 13.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 m -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 35.5 p -59.85 -45.16 93.3 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.278 -0.889 . . . . 0.0 110.635 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.83 52.0 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 120.837 -1.164 . . . . 0.0 108.149 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.84 -10.79 59.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.39 -41.84 5.4 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.237 -0.915 . . . . 0.0 110.717 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -79.58 -30.89 41.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.819 -1.176 . . . . 0.0 110.177 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.29 -47.98 69.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.039 -1.038 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.25 -18.36 63.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.419 -0.8 . . . . 0.0 109.733 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -74.18 -28.3 61.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.197 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -69.27 -45.94 68.45 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.31 20.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.729 -0.607 . . . . 0.0 111.087 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -52.38 -38.59 59.25 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.173 -0.954 . . . . 0.0 110.511 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -77.05 -41.48 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.778 -1.201 . . . . 0.0 109.465 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.91 77.99 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.399 -0.813 . . . . 0.0 109.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 10.0 mp -79.84 -47.62 14.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.919 -1.113 . . . . 0.0 110.77 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mt -45.29 -32.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.745 -1.222 . . . . 0.0 109.982 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.84 -52.13 9.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.0 109.7 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.73 -25.7 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -64.38 -58.43 6.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.45 -0.782 . . . . 0.0 110.59 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.61 -26.36 37.84 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.74 -1.225 . . . . 0.0 111.262 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.51 -41.69 90.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.439 -1.413 . . . . 0.0 109.049 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.91 -42.76 32.11 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 108.851 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -59.31 -40.03 84.96 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.01 6.19 72.34 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -67.73 -50.97 54.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.77 -1.43 . . . . 0.0 108.58 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -156.08 161.21 40.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.323 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.73 -167.94 32.85 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.0 128.02 34.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.486 -1.008 . . . . 0.0 110.219 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 44.9 pttt -74.82 170.73 15.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.513 -0.742 . . . . 0.0 109.863 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t60 82.9 -7.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.962 -0.461 . . . . 0.0 110.396 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -135.05 146.75 49.26 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.268 -0.895 . . . . 0.0 108.623 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.9 mp -93.81 134.91 35.66 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.981 0.896 . . . . 0.0 108.748 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' GLU . 31.1 mttm -109.57 158.91 17.55 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mtmm -45.95 -47.55 16.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.003 -1.061 . . . . 0.0 109.367 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -51.41 -16.49 0.57 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.186 -0.946 . . . . 0.0 108.66 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 33.2 mt-10 -99.77 -44.66 6.01 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -61.94 -54.02 47.68 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.225 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -66.0 -35.71 81.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.752 -1.217 . . . . 0.0 109.499 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.84 -32.16 46.03 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.983 -1.073 . . . . 0.0 109.899 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.6 tp -71.41 -34.99 70.83 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HD12 ' A' ' 47' ' ' ILE . 61.7 mt -67.36 -39.92 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.34 -22.78 38.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.538 -0.726 . . . . 0.0 111.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.77 -43.99 7.27 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.875 -1.141 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 41' ' ' SER . 17.3 mp0 -105.53 -63.98 1.19 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.85 -1.157 . . . . 0.0 110.013 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.95 33.79 0.08 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -88.49 -19.57 26.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.88 -1.137 . . . . 0.0 110.708 -179.435 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -91.87 -26.36 18.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.929 -1.107 . . . . 0.0 109.308 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -103.02 -50.27 3.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.438 -0.789 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.79 136.93 32.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.962 -1.086 . . . . 0.0 108.522 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 47' ' ' ILE . 23.2 tt0 -49.36 134.93 18.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.0 109.758 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.65 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.0 pm0 -56.0 82.11 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.608 -0.682 . . . . 0.0 109.834 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.542 HD12 HD13 ' A' ' 36' ' ' ILE . 9.1 mt -55.89 125.0 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.342 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -113.38 -18.38 12.04 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -100.15 152.94 19.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 108.941 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.3 -26.52 17.28 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.27 -0.894 . . . . 0.0 110.227 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.45 -34.81 5.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.935 . . . . 0.0 111.094 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' VAL . 27.7 m -74.5 -38.34 45.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.738 -1.226 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -66.49 -22.99 30.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.76 35.58 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -34.03 23.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.473 -0.767 . . . . 0.0 108.988 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.8 OUTLIER -62.41 -42.91 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.047 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.5 mtt -60.0 -35.24 74.62 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -62.06 -30.27 70.87 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.04 -1.038 . . . . 0.0 108.732 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.8 m -88.54 -29.23 20.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.679 -0.638 . . . . 0.0 109.806 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -101.08 -42.45 6.37 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.0 t0 -55.87 104.93 0.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.334 -1.479 . . . . 0.0 110.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' B' ' 62' ' ' GLU . 57.4 tt0 -90.85 -45.04 9.03 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 7.4 p30 -77.9 -2.98 39.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.26 44.02 97.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -96.17 -4.79 41.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.47 -1.017 . . . . 0.0 109.842 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.85 7.71 50.14 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.339 -1.904 . . . . 0.0 108.339 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -129.03 173.11 10.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -127.44 91.54 3.33 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.396 -0.815 . . . . 0.0 110.84 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.499 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 41.6 t0 -54.11 -167.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.703 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -77.84 -30.52 51.07 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.461 -1.399 . . . . 0.0 111.334 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 2.7 pp0? -75.58 -33.27 60.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.832 -1.168 . . . . 0.0 110.524 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 50.2 tt0 -87.23 -38.03 16.7 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.841 -1.162 . . . . 0.0 108.212 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.5 t80 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 109.052 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -77.11 -17.04 58.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.55 -18.97 50.61 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 176.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 80' ' ' VAL . 20.6 t80 -74.73 -54.28 7.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.97 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 66.9 t -52.57 -33.83 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.111 -0.993 . . . . 0.0 108.525 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -66.93 -35.17 79.39 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -72.42 -29.3 63.58 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.813 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -88.43 -31.62 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.195 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 48.7 m -74.73 -36.1 62.65 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' SER . 16.7 p -66.25 -37.14 84.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.024 -1.048 . . . . 0.0 110.21 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.92 76.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.768 -1.207 . . . . 0.0 108.555 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.75 -44.91 80.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 108.94 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.66 -28.04 63.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -68.27 -50.32 54.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 108.992 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.55 -45.93 77.19 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.367 -0.833 . . . . 0.0 109.715 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.34 -18.59 63.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -74.12 -28.28 61.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.876 -1.14 . . . . 0.0 108.183 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.24 -45.81 68.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 -55.3 20.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.816 -0.552 . . . . 0.0 111.072 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.425 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.6 mtt -52.35 -38.58 59.1 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.194 -0.941 . . . . 0.0 110.565 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.2 -41.31 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.203 . . . . 0.0 109.418 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.85 78.18 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.385 -0.822 . . . . 0.0 109.929 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 10.0 mp -79.9 -47.49 14.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.895 -1.128 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mt -45.26 -32.77 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.629 -1.294 . . . . 0.0 109.972 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.69 -52.4 9.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.047 -1.033 . . . . 0.0 109.731 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.81 -25.56 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.1 t80 -64.33 -58.39 6.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.494 -0.754 . . . . 0.0 110.627 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.71 -26.5 37.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.808 -1.182 . . . . 0.0 111.169 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -59.35 -41.71 89.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.398 -1.439 . . . . 0.0 109.015 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HH ' ' HB2' ' B' ' 38' ' ' ASN . 12.8 m-85 -77.88 -42.62 32.73 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 108.861 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -59.53 -39.99 85.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.92 6.13 72.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.84 -50.79 54.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.935 -1.333 . . . . 0.0 108.631 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -156.04 161.03 40.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.501 -0.749 . . . . 0.0 110.367 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.82 -167.91 33.27 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.08 128.0 34.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.453 -1.028 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 46.5 pttt -74.74 170.69 15.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.947 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t60 82.87 -6.87 1.25 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.961 -0.462 . . . . 0.0 110.479 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -135.16 146.67 48.98 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.1 mp -93.61 134.91 35.41 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.968 0.89 . . . . 0.0 108.899 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' GLU . 32.8 mttm -109.62 158.73 17.76 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' B' ' 31' ' ' GLU . 27.6 mtmm -45.83 -47.37 15.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.951 -1.093 . . . . 0.0 109.389 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -51.43 -16.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.134 -0.978 . . . . 0.0 108.646 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 28' ' ' LYS . 33.6 mt-10 -99.73 -44.66 6.02 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -61.84 -54.02 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.083 -1.01 . . . . 0.0 109.179 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -66.12 -35.74 81.31 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.795 -1.19 . . . . 0.0 109.427 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.76 -32.15 46.48 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.032 -1.042 . . . . 0.0 109.928 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 12.4 tp -71.4 -35.03 70.88 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD12 ' B' ' 47' ' ' ILE . 60.7 mt -67.42 -39.88 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.39 -22.6 38.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.664 -0.648 . . . . 0.0 111.327 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.421 ' HB2' ' HH ' ' B' ' 17' ' ' TYR . 4.4 m-20 -96.8 -43.94 7.29 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.882 -1.136 . . . . 0.0 112.198 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' B' ' 41' ' ' SER . 17.5 mp0 -105.66 -63.86 1.2 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.852 -1.155 . . . . 0.0 110.032 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -74.22 34.06 0.09 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 108.626 -179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -88.63 -19.7 25.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.853 -1.154 . . . . 0.0 110.568 -179.574 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -91.85 -26.1 18.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.14 . . . . 0.0 109.376 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -103.05 -50.43 3.5 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.418 -0.801 . . . . 0.0 109.606 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 44' ' ' LEU . 16.8 tp -88.83 136.99 32.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.939 -1.1 . . . . 0.0 108.592 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 47' ' ' ILE . 23.7 tt0 -49.4 134.92 18.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.768 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.0 pm0 -56.02 82.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.547 HD12 HD13 ' B' ' 36' ' ' ILE . 9.3 mt -55.79 125.17 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.066 -1.021 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -113.67 -18.16 11.95 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -100.05 152.75 19.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.435 -0.791 . . . . 0.0 108.93 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.46 -26.45 17.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.195 -0.941 . . . . 0.0 110.183 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -46.44 -34.98 5.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.205 -0.934 . . . . 0.0 111.03 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.46 HG23 ' N ' ' B' ' 53' ' ' VAL . 24.9 m -74.42 -38.29 46.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.716 -1.24 . . . . 0.0 108.026 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.46 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -66.47 -23.05 30.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.296 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.63 35.68 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -33.95 22.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 108.947 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.8 OUTLIER -62.32 -43.19 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 11.1 mtt -59.79 -35.13 74.03 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -62.15 -30.25 70.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 108.669 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 41.6 m -88.63 -29.06 20.23 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.567 -0.708 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -101.07 -42.31 6.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.286 -0.884 . . . . 0.0 110.69 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.0 t0 -55.94 104.99 0.16 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.411 -1.431 . . . . 0.0 110.145 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' A' ' 62' ' ' GLU . 58.4 tt0 -91.02 -44.82 9.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 7.7 p30 -78.04 -2.82 39.06 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.99 44.14 97.49 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -96.14 -4.89 41.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.338 -1.095 . . . . 0.0 109.792 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.73 8.06 50.92 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.37 173.07 10.88 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.485 ' O ' ' O ' ' B' ' 69' ' ' ASP . 98.5 m -127.54 91.64 3.34 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.48 -0.763 . . . . 0.0 110.783 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.9 t0 -54.13 -167.28 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -77.8 -30.66 51.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.518 -1.364 . . . . 0.0 111.321 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 2.7 pp0? -75.47 -33.31 60.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.741 -1.225 . . . . 0.0 110.664 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 50.5 tt0 -87.03 -38.07 16.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.769 -1.207 . . . . 0.0 108.336 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.531 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -58.14 -37.98 75.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.52 -0.737 . . . . 0.0 109.069 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -77.02 -17.19 58.99 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.5 -19.05 50.6 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.406 ' O ' HG13 ' B' ' 80' ' ' VAL . 20.6 t80 -74.66 -54.47 7.35 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.715 -0.794 . . . . 0.0 108.99 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' B' ' 81' ' ' THR . 73.9 t -52.28 -33.79 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 108.664 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 82' ' ' THR . 0.8 OUTLIER -66.9 -35.2 79.46 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -72.18 -29.53 64.08 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.406 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -88.32 -31.59 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.337 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 44.8 m -74.81 -36.12 62.46 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.755 HG23 ' O ' ' B' ' 78' ' ' SER . 16.6 p -66.04 -37.4 85.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.087 -1.008 . . . . 0.0 110.285 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.65 75.59 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.918 -1.114 . . . . 0.0 108.704 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.85 -44.82 80.01 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.63 -28.03 63.5 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.305 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -68.34 -50.24 54.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.0 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.63 -45.88 77.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 108.832 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 t80 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.719 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -71.81 -21.27 61.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.395 -0.815 . . . . 0.0 111.235 -178.593 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -70.66 -33.99 71.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.579 -1.326 . . . . 0.0 109.001 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.14 -45.5 66.68 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.657 -0.652 . . . . 0.0 109.47 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.91 -55.95 24.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.178 -0.951 . . . . 0.0 110.749 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -57.79 -37.47 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.913 -1.117 . . . . 0.0 109.002 -179.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.15 -54.31 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.504 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.44 68.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' PHE . 1.4 mt -79.58 -49.22 12.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.225 -0.922 . . . . 0.0 110.129 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.6 -36.74 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.128 -0.983 . . . . 0.0 109.136 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.033 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -72.86 -26.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.136 -0.977 . . . . 0.0 109.622 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -70.64 -44.11 67.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.637 ' CD2' ' NE2' ' B' ' 85' ' ' HIS . 0.2 OUTLIER -78.43 -40.56 35.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.064 -1.022 . . . . 0.0 110.664 -178.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.06 -41.91 89.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.789 -1.194 . . . . 0.0 110.106 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.2 -56.44 3.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 109.616 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 2.2 m -58.74 -26.79 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.953 -1.092 . . . . 0.0 108.78 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -94.08 0.08 66.32 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -62.74 -46.3 88.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.051 -1.264 . . . . 0.0 108.665 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -161.0 153.36 20.37 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 118.06 -170.68 13.73 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -47.42 -69.97 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.47 -9.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.291 -0.88 . . . . 0.0 109.017 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.05 61.69 0.07 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.476 -1.39 . . . . 0.0 110.667 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -136.8 147.31 46.53 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -99.02 128.56 45.18 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.965 0.888 . . . . 0.0 110.709 -178.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -110.97 161.02 16.27 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -46.7 -42.28 16.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.105 -0.997 . . . . 0.0 109.118 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -18.93 3.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 56.0 mt-10 -99.72 -35.69 9.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.287 -0.883 . . . . 0.0 108.702 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -55.76 11.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.498 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -68.13 -33.67 74.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.964 -1.085 . . . . 0.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.44 -32.88 54.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.992 -1.068 . . . . 0.0 109.933 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.0 tp -70.02 -35.8 74.6 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 47' ' ' ILE . 72.4 mt -69.03 -40.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.619 -0.676 . . . . 0.0 110.324 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 69.2 m-80 -82.3 -24.63 34.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.022 -1.049 . . . . 0.0 111.588 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.25 -45.38 8.66 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.665 -1.272 . . . . 0.0 112.582 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' A' ' 41' ' ' SER . 30.5 tt0 -110.44 -60.06 1.86 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.857 -1.152 . . . . 0.0 110.25 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.4 mm? -71.74 28.78 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.92 -1.113 . . . . 0.0 108.432 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.53 -17.2 32.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 110.14 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.3 p80 -89.37 -27.13 20.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.832 -1.168 . . . . 0.0 109.589 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.2 m-85 -106.7 -47.46 3.74 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 80' ' ' VAL . 8.1 tp -86.9 135.23 33.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.951 -1.093 . . . . 0.0 108.788 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 47' ' ' ILE . 83.7 mt-10 -50.2 135.34 21.37 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.618 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 10.0 mp0 -54.63 82.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.603 -0.686 . . . . 0.0 109.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.4 mt -59.19 125.58 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.067 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -115.61 -15.51 11.4 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.24 149.78 25.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.544 -0.723 . . . . 0.0 109.124 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' VAL . 18.3 mt-30 -86.57 -26.07 24.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.188 -0.945 . . . . 0.0 109.406 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -42.29 -39.13 2.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.444 -0.785 . . . . 0.0 110.835 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 p -75.11 -38.94 43.13 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.56 -23.82 32.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' GLN . 84.5 m-20 -77.63 -35.29 52.77 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -82.27 -43.88 16.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 109.161 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -37.14 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 120.477 -1.39 . . . . 0.0 107.446 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.1 tpp -63.62 -25.97 68.46 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -75.11 -30.72 60.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.124 -0.985 . . . . 0.0 109.445 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -87.86 -30.14 20.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 72' ' ' GLU . 45.6 tp -88.75 -53.02 4.82 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.396 -0.815 . . . . 0.0 110.945 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 60.8 t0 -56.34 105.68 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.681 -1.262 . . . . 0.0 109.656 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -90.36 -43.97 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -75.93 -4.95 43.83 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.39 45.44 95.93 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.259 -1.936 . . . . 0.0 108.259 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 45.4 p30 -97.91 -6.31 32.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.387 -1.066 . . . . 0.0 109.965 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.32 8.88 84.14 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -138.35 172.59 12.68 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 69' ' ' ASP . 15.1 m -122.34 93.33 3.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.46 -0.775 . . . . 0.0 110.595 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -52.15 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -74.68 -29.67 61.3 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.279 -1.513 . . . . 0.0 110.747 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -66.23 -47.81 72.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.116 -0.99 . . . . 0.0 111.55 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.4 pt-20 -88.02 -30.92 19.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.423 -1.423 . . . . 0.0 109.102 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.6 t80 -52.92 -48.37 67.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.548 -1.345 . . . . 0.0 107.926 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.53 68.84 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.4 -18.34 1.59 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.999 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG11 ' A' ' 80' ' ' VAL . 84.8 t80 -67.73 -56.19 10.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 62.1 t -53.95 -29.63 18.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 CA-C-O 122.042 0.925 . . . . 0.0 108.768 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 82' ' ' THR . 7.0 t -69.24 -34.45 74.82 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.372 -0.83 . . . . 0.0 109.856 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.2 mtp -77.54 -29.49 52.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.49 -0.756 . . . . 0.0 110.0 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.2 m -87.55 -32.51 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 99.3 m -74.67 -35.86 62.81 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.653 HG21 ' CD1' ' B' ' 70' ' ' PHE . 7.8 p -68.69 -39.29 80.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.816 -1.178 . . . . 0.0 110.086 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.72 77.97 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.838 -1.164 . . . . 0.0 108.29 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.25 -17.06 64.19 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.936 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.622 ' NE2' ' CD2' ' B' ' 15' ' ' HIS . 53.7 t60 -105.45 -35.5 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.415 -0.803 . . . . 0.0 109.708 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' THR . 18.8 tt0 -69.52 -35.36 75.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.005 -1.059 . . . . 0.0 109.152 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -73.03 -42.52 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.313 -0.867 . . . . 0.0 109.175 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.215 -0.928 . . . . 0.0 109.014 179.445 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.679 0.752 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -71.66 -21.42 61.81 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 111.221 -178.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -70.68 -33.86 71.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.377 -1.452 . . . . 0.0 108.984 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.19 -45.43 66.66 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.584 -0.698 . . . . 0.0 109.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.19 -55.76 27.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 110.811 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -57.62 -37.52 73.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.984 -1.072 . . . . 0.0 108.979 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -68.14 -54.5 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.009 -1.057 . . . . 0.0 109.404 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.66 68.42 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.597 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.46 -49.3 12.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.077 -1.014 . . . . 0.0 110.198 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mm -45.6 -36.73 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.039 -1.038 . . . . 0.0 109.142 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.21 -50.96 42.53 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.227 -0.92 . . . . 0.0 109.087 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.88 -26.48 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -70.49 -43.98 68.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.995 -1.066 . . . . 0.0 109.642 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.622 ' CD2' ' NE2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -78.57 -40.39 34.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.942 -1.099 . . . . 0.0 110.69 -178.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.21 -41.81 89.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.787 -1.196 . . . . 0.0 110.163 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.42 -56.33 3.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.892 -1.13 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 2.6 m -58.51 -27.05 64.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.883 -1.136 . . . . 0.0 108.667 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -94.15 0.23 66.28 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -63.1 -46.16 88.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.942 -1.329 . . . . 0.0 108.567 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 0.0 OUTLIER -160.66 153.54 21.24 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 117.92 -170.82 13.75 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -47.31 -69.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 0.0 109.406 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.433 ' H ' ' H ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -169.76 -9.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 108.951 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.433 ' H ' ' H ' ' B' ' 24' ' ' LYS . 2.7 t60 -168.28 61.84 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.437 -1.414 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -137.01 147.31 46.17 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -99.07 128.62 45.24 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.259 -0.901 . . . . 0.0 110.675 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -110.96 161.21 16.08 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.05 -42.02 17.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.08 -1.012 . . . . 0.0 109.088 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -18.78 4.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.046 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 56.0 mt-10 -99.83 -35.52 9.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.226 -0.921 . . . . 0.0 108.678 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -55.64 11.68 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.352 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.18 -33.8 75.12 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.977 -1.077 . . . . 0.0 109.752 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.47 -32.9 54.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.019 -1.051 . . . . 0.0 109.811 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 18.7 tp -69.9 -35.88 74.95 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.444 HD13 HD12 ' B' ' 47' ' ' ILE . 73.9 mt -69.21 -40.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.605 -0.684 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 69.2 m-80 -82.43 -24.62 34.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.007 -1.058 . . . . 0.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -91.15 -45.46 8.65 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.709 -1.244 . . . . 0.0 112.502 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' B' ' 41' ' ' SER . 32.0 tt0 -110.24 -60.17 1.84 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.835 -1.166 . . . . 0.0 110.266 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' B' ' 40' ' ' LEU . 1.2 mm? -71.59 28.83 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.953 -1.092 . . . . 0.0 108.382 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -87.78 -17.0 32.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.065 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.3 p80 -89.57 -27.09 20.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.944 -1.097 . . . . 0.0 109.605 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.426 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.2 m-85 -106.92 -47.11 3.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 44' ' ' LEU . 7.9 tp -87.15 135.16 33.4 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.956 -1.09 . . . . 0.0 108.803 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 47' ' ' ILE . 83.8 mt-10 -50.26 135.43 21.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.323 -0.861 . . . . 0.0 110.132 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 9.9 mp0 -54.64 82.72 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.583 -0.698 . . . . 0.0 109.85 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 45' ' ' GLU . 7.8 mt -59.26 125.53 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 0.0 108.962 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -115.71 -15.35 11.36 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -105.15 149.87 25.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.3 mt-30 -86.72 -26.24 24.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.159 -0.963 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 50' ' ' GLN . 58.6 mm-40 -41.95 -39.4 1.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.531 -0.73 . . . . 0.0 110.86 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.12 -38.59 42.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.69 -23.87 31.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' B' ' 50' ' ' GLN . 84.2 m-20 -77.46 -35.44 53.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -81.97 -44.29 16.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.516 -0.74 . . . . 0.0 109.245 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -37.35 59.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.508 -1.37 . . . . 0.0 107.426 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.45 -26.05 68.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.294 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -75.0 -30.69 61.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.141 -0.975 . . . . 0.0 109.508 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -88.12 -30.05 20.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.282 -0.886 . . . . 0.0 109.342 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.404 HD11 ' O ' ' B' ' 72' ' ' GLU . 46.4 tp -88.83 -53.31 4.67 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 60.7 t0 -56.06 105.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.682 -1.261 . . . . 0.0 109.584 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -90.42 -43.77 10.07 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 0.4 OUTLIER -76.16 -4.82 43.75 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.46 95.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.9 p30 -97.95 -6.3 32.45 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.328 -1.101 . . . . 0.0 109.996 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 8.38 83.51 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -137.97 172.82 12.37 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 13.9 m -122.28 93.34 3.95 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.319 -0.863 . . . . 0.0 110.598 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.8 OUTLIER -52.16 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.653 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.81 -29.62 61.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.315 -1.491 . . . . 0.0 110.785 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -66.12 -47.84 72.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 111.605 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 4.4 pt-20 -87.96 -31.07 19.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.337 -1.477 . . . . 0.0 109.094 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.7 t80 -52.82 -48.41 66.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.512 -1.367 . . . . 0.0 107.905 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.57 68.83 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.34 -18.26 1.52 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.997 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' B' ' 80' ' ' VAL . 84.9 t80 -67.7 -56.03 10.87 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' B' ' 81' ' ' THR . 58.0 t -54.19 -29.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.989 0.899 . . . . 0.0 108.7 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.615 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -69.48 -34.09 73.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.374 -0.829 . . . . 0.0 109.917 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtp -77.59 -29.55 52.05 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.459 -0.775 . . . . 0.0 110.034 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' B' ' 76' ' ' PHE . 1.2 m -87.61 -32.39 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.5 m -74.63 -35.51 62.89 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.648 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.6 p -69.04 -39.25 79.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.868 -1.145 . . . . 0.0 110.086 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.7 77.82 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 55.2 m -65.45 -17.08 64.27 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.864 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.637 ' NE2' ' CD2' ' A' ' 15' ' ' HIS . 52.7 t60 -105.17 -35.49 7.57 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 109.819 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 82' ' ' THR . 19.7 tt0 -69.39 -35.64 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.049 -1.032 . . . . 0.0 109.156 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.96 -42.47 63.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.394 -0.816 . . . . 0.0 109.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.079 -1.013 . . . . 0.0 108.934 179.593 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.179 0.514 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.89 -22.68 64.17 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.087 -1.008 . . . . 0.0 111.054 -178.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -73.31 -35.28 66.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.755 -1.216 . . . . 0.0 109.988 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -67.47 -45.5 75.75 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.083 -1.011 . . . . 0.0 109.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -64.45 -48.45 75.23 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.278 -0.889 . . . . 0.0 109.45 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.455 ' HG3' HG23 ' B' ' 81' ' ' THR . 53.5 ttm -59.77 -35.89 75.55 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.461 -0.774 . . . . 0.0 110.243 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.21 -40.91 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.873 -1.142 . . . . 0.0 108.773 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.59 74.16 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.515 -0.741 . . . . 0.0 109.812 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.408 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -78.63 -46.7 18.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.874 -1.141 . . . . 0.0 109.936 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -45.74 -30.45 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.09 -1.006 . . . . 0.0 109.093 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.19 -50.86 17.43 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.322 -0.861 . . . . 0.0 108.796 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.23 -26.94 21.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m-85 -71.23 -49.18 46.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.953 -1.092 . . . . 0.0 110.002 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' NE2' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -76.31 -32.23 58.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.92 -1.112 . . . . 0.0 110.353 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.75 -41.81 82.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.025 -1.047 . . . . 0.0 110.551 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -86.12 -58.09 2.77 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.836 -1.165 . . . . 0.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.62 -27.04 4.12 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.911 -1.118 . . . . 0.0 108.976 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.23 3.33 54.79 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -58.65 -42.74 89.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.575 -1.544 . . . . 0.0 108.981 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.09 171.1 9.83 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.77 -125.04 7.11 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -80.44 -167.59 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -1.164 . . . . 0.0 109.63 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -88.68 -14.88 36.26 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 0.0 110.529 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.8 66.51 0.12 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.492 -1.38 . . . . 0.0 111.103 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -143.48 149.89 38.18 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -95.89 123.68 39.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.197 -0.939 . . . . 0.0 110.641 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 156.84 20.85 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 16.6 mttm -47.78 -45.56 29.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.708 -1.245 . . . . 0.0 109.725 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -50.71 -17.98 0.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.008 . . . . 0.0 109.108 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 35' ' ' LEU . 78.3 mt-10 -101.53 -39.27 7.59 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -49.61 68.6 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 109.145 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HA ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.69 -37.03 79.26 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.044 -1.035 . . . . 0.0 108.612 179.24 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.54 -30.93 53.02 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' GLU . 21.8 tp -70.37 -37.58 74.58 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -69.05 -39.39 79.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 109.772 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' N ' HD22 ' A' ' 37' ' ' ASN . 1.7 m120 -79.02 -22.78 44.95 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 110.938 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.35 -20.14 19.37 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.794 -1.191 . . . . 0.0 112.789 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -129.99 -53.26 1.13 Allowed 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.75 -1.219 . . . . 0.0 110.379 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.6 mm? -85.89 31.44 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.012 -1.055 . . . . 0.0 108.657 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -83.18 -19.63 36.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.997 -1.064 . . . . 0.0 108.697 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.69 -21.97 28.08 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.2 -49.6 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.08 131.06 47.17 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.233 -0.917 . . . . 0.0 109.387 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.07 145.65 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 109.482 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 53.3 mp0 -62.57 107.09 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.267 -0.896 . . . . 0.0 109.572 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 33' ' ' LYS . 4.0 pt -67.85 126.16 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.597 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.45 -13.44 18.7 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -119.2 120.55 37.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' VAL . 12.0 pt20 -59.54 -19.81 51.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLN . 73.3 mt-10 -41.33 -42.03 2.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.996 -1.065 . . . . 0.0 111.445 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.62 -35.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.759 -1.213 . . . . 0.0 108.024 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.26 -23.83 32.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -78.42 -35.93 46.35 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -74.66 -53.56 9.09 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.241 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.26 -38.61 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 66' ' ' GLY . 33.9 ttm -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.3 tm-20 -74.29 -37.61 63.62 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -76.91 -31.66 56.86 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.642 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 4.5 mm? -90.57 -45.64 8.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.158 -0.964 . . . . 0.0 110.469 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 62.8 t0 -56.13 98.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.509 -1.369 . . . . 0.0 109.533 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -90.44 -37.5 13.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 p-10 -80.55 -4.85 55.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.76 45.67 87.5 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' GLU . 23.2 p30 -99.61 -5.87 28.3 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.496 -1.003 . . . . 0.0 109.912 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.502 ' O ' ' SD ' ' A' ' 57' ' ' MET . . . 69.19 0.57 22.27 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.053 -2.019 . . . . 0.0 108.053 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 65' ' ' ASP . 98.7 mt-10 -128.26 173.56 10.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 69' ' ' ASP . 2.6 m -127.05 94.24 3.97 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.222 -0.924 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.0 p-10 -50.73 -171.63 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.0 -30.49 44.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.607 -1.308 . . . . 0.0 111.461 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -75.65 -36.5 60.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.939 -1.101 . . . . 0.0 110.049 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 11.9 tt0 -85.57 -37.32 19.72 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.999 -1.063 . . . . 0.0 108.351 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 1.2 t80 -52.83 -46.74 67.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 108.703 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.408 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.19 -43.64 78.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.49 -19.89 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.485 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -73.65 -55.26 6.51 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.828 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.95 -28.6 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 82' ' ' THR . 7.2 t -67.1 -34.54 77.86 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.8 -34.2 60.17 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.811 -0.556 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -31.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 55.1 m -73.24 -35.12 66.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -75.15 -36.44 61.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.999 -1.063 . . . . 0.0 111.172 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.85 91.69 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.447 -1.408 . . . . 0.0 108.525 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 81' ' ' THR . 23.3 p -66.32 -10.51 43.48 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.532 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.502 ' NE2' ' ND1' ' B' ' 15' ' ' HIS . 49.2 t60 -98.54 -38.08 9.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.455 -0.778 . . . . 0.0 109.341 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.63 -50.49 57.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.227 -0.921 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.24 -43.22 78.45 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 108.889 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.432 179.785 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.196 0.522 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.456 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.07 -22.59 64.0 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.138 -0.976 . . . . 0.0 111.107 -178.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -73.48 -35.21 65.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.65 -1.281 . . . . 0.0 109.969 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.37 -45.53 76.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.162 -0.961 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.665 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.439 ' HG3' HG23 ' A' ' 81' ' ' THR . 52.9 ttm -60.1 -35.88 76.18 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.615 -0.678 . . . . 0.0 110.194 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.12 -40.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.827 -1.171 . . . . 0.0 108.809 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.72 74.32 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.418 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -78.57 -46.67 18.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.855 -1.153 . . . . 0.0 109.963 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mm -45.75 -30.46 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.101 -0.999 . . . . 0.0 108.994 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -74.1 -50.98 17.11 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.221 -0.925 . . . . 0.0 108.821 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 t -74.13 -26.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.255 -0.903 . . . . 0.0 109.394 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.5 m-85 -71.19 -49.15 46.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.929 -1.107 . . . . 0.0 110.081 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.502 ' ND1' ' NE2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.45 -32.14 58.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.071 . . . . 0.0 110.313 -178.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.81 -41.85 82.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.997 -1.065 . . . . 0.0 110.535 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -86.18 -57.96 2.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 109.845 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.72 -27.01 4.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.943 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.12 3.1 55.1 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -58.64 -42.7 88.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.603 -1.527 . . . . 0.0 109.002 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.05 171.01 9.95 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.826 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.02 -125.11 7.18 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 0.5 OUTLIER -80.43 -167.39 1.32 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.335 -1.097 . . . . 0.0 109.592 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -88.92 -14.95 35.54 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.34 -0.85 . . . . 0.0 110.435 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.64 66.57 0.12 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.607 -1.308 . . . . 0.0 111.017 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -143.55 149.88 38.07 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.2 tt -95.9 123.58 39.55 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.212 -0.93 . . . . 0.0 110.613 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 156.9 20.64 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 16.6 mttm -47.93 -45.39 30.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 0.0 109.709 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -50.78 -17.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 109.08 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 77.9 mt-10 -101.62 -39.47 7.46 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.9 OUTLIER -65.34 -49.34 69.78 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.252 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.458 ' HA ' HD11 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -68.97 -36.95 78.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.982 -1.074 . . . . 0.0 108.617 179.193 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.51 -30.88 53.16 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.793 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.1 tp -70.36 -37.6 74.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' B' ' 32' ' ' LEU . 73.9 mt -69.14 -39.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.726 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.549 ' N ' HD22 ' B' ' 37' ' ' ASN . 1.7 m120 -79.15 -22.72 44.66 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.385 -0.822 . . . . 0.0 110.923 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -95.41 -20.07 19.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.757 -1.215 . . . . 0.0 112.823 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.96 -53.26 1.13 Allowed 'General case' 0 N--CA 1.509 2.511 0 O-C-N 120.62 -1.3 . . . . 0.0 110.406 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.759 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.6 mm? -85.89 31.56 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.079 -1.013 . . . . 0.0 108.596 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -83.25 -19.91 35.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.993 -1.067 . . . . 0.0 108.645 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.64 -21.86 28.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -107.25 -49.46 3.26 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -101.29 130.88 47.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.35 -0.844 . . . . 0.0 109.382 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.11 145.67 25.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 52.9 mp0 -62.46 107.13 0.87 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.196 -0.94 . . . . 0.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' B' ' 33' ' ' LYS . 3.7 pt -67.84 125.97 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.594 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -100.33 -13.51 18.78 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -119.18 120.55 37.41 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 53' ' ' VAL . 12.3 pt20 -59.62 -19.69 50.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.25 -0.906 . . . . 0.0 109.958 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -41.32 -42.02 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.081 -1.012 . . . . 0.0 111.38 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.67 -35.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.735 -1.228 . . . . 0.0 107.997 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.15 -24.0 32.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.41 -35.95 46.38 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -53.81 8.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.482 -0.761 . . . . 0.0 109.104 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.21 -38.62 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 66' ' ' GLY . 33.6 ttm -61.04 -24.66 66.36 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -74.31 -37.42 63.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 108.758 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.3 m -76.95 -31.73 56.8 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 4.5 mm? -90.58 -45.57 8.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.106 -0.996 . . . . 0.0 110.401 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 62.9 t0 -56.26 98.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.505 -1.372 . . . . 0.0 109.562 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -90.22 -37.63 14.0 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.8 p-10 -80.57 -4.91 55.83 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.91 45.65 86.77 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' B' ' 67' ' ' GLU . 22.8 p30 -99.61 -5.97 28.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.408 -1.054 . . . . 0.0 109.956 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' B' ' 57' ' ' MET . . . 69.27 0.67 23.43 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -128.36 173.58 10.06 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.517 ' O ' ' O ' ' B' ' 69' ' ' ASP . 2.8 m -127.06 94.11 3.93 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.259 -0.901 . . . . 0.0 110.214 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' B' ' 68' ' ' CYS . 2.0 p-10 -50.65 -171.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -78.92 -30.53 44.8 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.641 -1.287 . . . . 0.0 111.362 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -75.75 -36.52 59.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.944 -1.098 . . . . 0.0 109.97 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 11.7 tt0 -85.5 -37.25 19.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.092 -1.005 . . . . 0.0 108.349 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 1.2 t80 -53.01 -46.59 68.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 108.645 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.418 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -56.28 -43.65 79.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.581 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.52 -19.9 2.57 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.326 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -73.73 -55.17 6.58 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.734 -1.187 . . . . 0.0 108.878 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.2 t -54.86 -28.7 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.678 ' O ' HG23 ' B' ' 82' ' ' THR . 7.0 t -67.0 -34.57 78.04 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.73 -34.31 60.31 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.842 -0.536 . . . . 0.0 109.964 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.22 -31.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.8 m -73.53 -34.92 65.45 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.678 HG23 ' O ' ' B' ' 78' ' ' SER . 17.9 p -75.22 -36.33 61.36 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.997 -1.064 . . . . 0.0 111.209 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.8 91.63 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.254 -1.529 . . . . 0.0 108.515 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 81' ' ' THR . 23.2 p -66.23 -10.65 44.01 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.141 -1.023 . . . . 0.0 108.517 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.497 ' NE2' ' ND1' ' A' ' 15' ' ' HIS . 49.0 t60 -98.36 -38.17 9.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 109.377 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.66 -50.26 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.324 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 108.849 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 109.497 179.749 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD23 HG21 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -68.51 -19.89 64.55 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 109.941 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -73.25 -27.34 61.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.768 -1.208 . . . . 0.0 107.836 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 22.3 mmtt -68.12 -47.0 69.33 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.33 -54.83 26.81 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.484 0.659 . . . . 0.0 109.931 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -49.91 -39.91 41.55 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.265 -0.897 . . . . 0.0 110.09 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.28 -39.17 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 109.712 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.94 71.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 109.484 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.4 mp -79.97 -48.75 12.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.021 -1.05 . . . . 0.0 110.215 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.73 -38.89 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.128 -0.983 . . . . 0.0 109.476 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.04 -51.37 47.58 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.218 -0.926 . . . . 0.0 109.502 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG21 HD23 ' B' ' 3' ' ' LEU . 91.0 t -74.49 -26.89 20.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.414 -0.804 . . . . 0.0 110.151 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 m-85 -72.63 -45.9 56.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.093 . . . . 0.0 109.983 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -75.71 -32.7 60.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.897 -1.127 . . . . 0.0 110.393 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.91 -40.44 91.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.754 -1.216 . . . . 0.0 109.653 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 29.0 m-85 -90.35 -58.2 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.087 . . . . 0.0 109.346 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 2.2 t -55.71 -26.19 43.98 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 108.85 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.63 -1.06 62.21 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -64.36 -45.26 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.826 -1.397 . . . . 0.0 108.892 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.86 162.63 23.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.435 -0.791 . . . . 0.0 109.297 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 105.65 -143.24 15.67 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 25' ' ' HIS . 26.1 t0 -78.43 29.98 0.19 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.259 -1.142 . . . . 0.0 109.385 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.2 tmtp? 66.24 -12.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.325 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 23' ' ' ASP . 30.2 m-70 -152.14 47.98 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.864 -1.148 . . . . 0.0 109.751 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 18' ' ' SER . 27.8 ttmt -141.18 148.71 40.42 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.3 mp -95.28 130.33 42.08 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.111 -0.993 . . . . 0.0 110.806 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -110.9 159.52 17.62 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 176.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -45.76 -47.81 15.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.854 -1.153 . . . . 0.0 109.804 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.9 -19.99 2.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -97.8 -28.94 13.64 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.234 -0.916 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -79.37 -53.57 6.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.181 -0.95 . . . . 0.0 109.649 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -67.96 -35.39 78.3 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 109.489 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -76.9 -31.53 56.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.035 -1.04 . . . . 0.0 109.746 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.5 tp -73.63 -33.92 64.77 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.962 -1.087 . . . . 0.0 108.598 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 32' ' ' LEU . 60.7 mt -67.16 -41.21 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.525 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.05 -22.93 36.14 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.247 -0.908 . . . . 0.0 111.41 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -88.96 -45.76 9.42 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.362 -1.462 . . . . 0.0 112.217 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.07 -46.64 3.86 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.9 -1.125 . . . . 0.0 110.675 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.42 32.22 0.72 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.937 -1.102 . . . . 0.0 109.779 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -15.86 38.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.843 -1.161 . . . . 0.0 110.175 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.1 -30.35 14.7 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.08 -1.012 . . . . 0.0 110.262 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.99 -58.56 1.85 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.205 -0.935 . . . . 0.0 109.031 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 36' ' ' ILE . 44.1 tp -79.94 138.42 37.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 47' ' ' ILE . 50.1 mt-10 -49.06 130.15 18.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.209 -0.932 . . . . 0.0 110.281 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.95 84.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.7 mt -55.36 129.49 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 108.797 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -115.36 -18.64 10.98 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.41 152.21 21.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.408 -0.807 . . . . 0.0 109.253 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' VAL . 2.8 pt20 -92.8 -29.3 16.07 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.06 -1.025 . . . . 0.0 110.396 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -44.92 -33.82 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.28 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.48 -37.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.78 -24.39 34.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.7 -34.1 52.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -78.88 -49.37 12.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.585 -0.697 . . . . 0.0 109.572 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -53.18 -40.22 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.736 -1.227 . . . . 0.0 108.06 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.7 mmm -59.38 -31.95 69.69 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.21 -36.95 85.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.871 . . . . 0.0 109.155 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -81.27 -32.21 33.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.401 -0.812 . . . . 0.0 109.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.4 mm? -94.2 -48.33 6.24 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.258 -0.901 . . . . 0.0 111.242 -178.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.7 t0 -56.02 104.12 0.13 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.227 -1.546 . . . . 0.0 109.197 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' CD ' HE22 ' A' ' 71' ' ' GLN . 10.3 pt-20 -90.98 -44.34 9.39 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p30 -75.21 -3.75 34.88 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.15 44.86 94.62 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.946 -2.062 . . . . 0.0 107.946 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 21.2 p30 -96.2 -3.76 43.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.582 -0.952 . . . . 0.0 109.196 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.46 0.31 62.22 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.007 -2.037 . . . . 0.0 108.007 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 43.9 mt-10 -125.2 170.56 11.13 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 65.7 m -122.96 91.49 3.5 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.437 -0.79 . . . . 0.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 34.0 t0 -49.76 178.46 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.5 OUTLIER -72.56 -29.3 63.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.055 . . . . 0.0 111.02 -179.314 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.521 HE22 ' CD ' ' A' ' 62' ' ' GLU . 2.0 pp0? -73.36 -37.86 65.9 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.747 -1.22 . . . . 0.0 111.275 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 5.9 pt-20 -89.52 -35.36 15.98 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.381 -1.449 . . . . 0.0 108.312 178.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CD1' HD22 ' A' ' 27' ' ' LEU . 1.3 t80 -51.31 -45.29 62.16 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -60.5 -45.14 94.85 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.31 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.57 -20.26 1.87 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.468 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.85 -51.1 13.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.053 -1.029 . . . . 0.0 108.733 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.413 HG21 HD11 ' B' ' 3' ' ' LEU . 39.5 t -56.47 -37.3 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.152 -0.968 . . . . 0.0 109.003 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.03 -31.05 71.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.284 -0.885 . . . . 0.0 109.117 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.413 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 2.0 ttp -71.54 -26.23 62.55 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -86.52 -34.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -72.99 -35.59 66.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.673 HG21 ' CD1' ' B' ' 70' ' ' PHE . 13.2 p -65.05 -40.35 94.64 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.573 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.9 92.72 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.956 -1.09 . . . . 0.0 108.546 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -66.85 -17.72 65.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -103.45 -35.54 8.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.538 -0.726 . . . . 0.0 109.527 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -76.7 -46.01 27.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.336 -0.853 . . . . 0.0 111.15 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.27 -41.48 94.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.905 -1.122 . . . . 0.0 110.055 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 120.952 -1.093 . . . . 0.0 109.752 -179.792 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.537 0.684 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.2 -19.75 64.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.166 -0.959 . . . . 0.0 109.752 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -73.18 -27.7 61.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.699 -1.25 . . . . 0.0 107.993 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -67.93 -47.11 69.63 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.82 -54.26 33.99 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.239 0.542 . . . . 0.0 110.098 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.5 mtt -50.33 -39.41 46.04 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.945 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.19 -38.65 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.982 -1.073 . . . . 0.0 109.577 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.33 70.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.216 -0.927 . . . . 0.0 109.536 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.1 mp -79.77 -48.87 12.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mt -46.12 -38.54 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.97 -1.081 . . . . 0.0 109.494 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -68.31 -51.13 48.17 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 3' ' ' LEU . 96.3 t -74.62 -26.81 20.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 110.191 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.7 m-85 -72.6 -46.15 55.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.063 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.21 -32.59 61.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 110.47 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.22 -40.9 90.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.806 -1.184 . . . . 0.0 109.624 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 28.9 m-85 -90.22 -58.03 2.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.921 -1.112 . . . . 0.0 109.354 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 2.8 t -56.01 -26.48 48.91 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.916 -1.115 . . . . 0.0 108.926 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.65 -0.48 62.52 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -64.23 -45.62 87.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.839 -1.389 . . . . 0.0 108.641 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.21 161.48 22.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.527 -0.733 . . . . 0.0 109.292 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 107.47 -143.33 15.91 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' B' ' 25' ' ' HIS . 26.2 t0 -78.58 29.05 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -1.136 . . . . 0.0 109.44 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' B' ' 22' ' ' GLY . 3.8 tmtp? 67.14 -12.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 109.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 23' ' ' ASP . 33.6 m-70 -152.26 47.93 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.949 -1.094 . . . . 0.0 109.499 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' B' ' 18' ' ' SER . 27.7 ttmt -141.34 148.95 40.51 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 73' ' ' PHE . 1.1 mp -95.79 129.95 42.86 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.041 -1.037 . . . . 0.0 110.761 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -110.59 159.03 17.93 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 28' ' ' LYS . 37.6 mttm -45.44 -47.85 13.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.815 -1.178 . . . . 0.0 109.577 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -52.16 -19.81 2.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.113 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 28' ' ' LYS . 60.6 mt-10 -97.82 -28.24 13.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.121 -0.987 . . . . 0.0 109.283 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.79 -54.21 6.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.251 -0.906 . . . . 0.0 109.603 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.0 -1.063 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.07 -31.34 55.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.941 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.81 -34.54 64.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 108.589 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.501 HD11 ' CD2' ' B' ' 32' ' ' LEU . 65.3 mt -66.37 -41.41 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.554 -0.716 . . . . 0.0 109.449 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -81.94 -23.28 36.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.406 -0.809 . . . . 0.0 111.528 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -88.86 -45.64 9.57 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.388 -1.445 . . . . 0.0 112.232 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -106.97 -46.8 3.84 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.917 -1.115 . . . . 0.0 110.793 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 31.58 0.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.959 -1.088 . . . . 0.0 109.845 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -15.96 39.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.975 -1.078 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -94.31 -31.05 14.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.933 -1.104 . . . . 0.0 110.115 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.01 -59.06 1.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.071 -1.018 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.49 HD23 HG23 ' B' ' 36' ' ' ILE . 51.5 tp -79.58 138.84 37.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.019 -1.051 . . . . 0.0 108.688 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 47' ' ' ILE . 47.6 mt-10 -49.07 130.12 18.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.065 -1.022 . . . . 0.0 110.374 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.37 84.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.972 . . . . 0.0 109.477 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' B' ' 45' ' ' GLU . 5.5 mt -55.64 129.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -115.32 -18.06 11.15 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.68 151.97 21.39 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.739 . . . . 0.0 109.26 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' B' ' 53' ' ' VAL . 3.2 pt20 -92.71 -29.19 16.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.212 -0.93 . . . . 0.0 110.329 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -45.34 -33.53 2.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 110.112 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 53' ' ' VAL . 27.5 m -74.57 -37.79 44.45 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -65.71 -23.83 33.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -78.5 -33.72 47.95 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -79.23 -49.34 12.66 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.37 -40.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.773 -1.205 . . . . 0.0 108.162 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.576 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.8 mmm -59.68 -31.48 69.6 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.16 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -65.26 -36.29 83.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 0.0 109.085 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -82.04 -31.58 30.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.44 -0.787 . . . . 0.0 109.754 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.4 mm? -94.61 -48.64 5.99 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.275 -0.891 . . . . 0.0 111.35 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.2 t0 -55.77 104.2 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.251 -1.53 . . . . 0.0 109.107 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.571 ' CD ' HE22 ' B' ' 71' ' ' GLN . 10.0 pt-20 -90.91 -44.55 9.3 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' B' ' 62' ' ' GLU . 1.3 p30 -74.61 -4.88 39.75 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.98 44.99 95.83 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 23.6 p30 -96.28 -3.8 43.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.575 -0.956 . . . . 0.0 109.218 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -0.09 62.78 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 46.0 mt-10 -125.03 169.88 11.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.576 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 63.3 m -122.15 91.79 3.58 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 109.984 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 32.2 t0 -49.99 179.16 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.673 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -73.21 -29.0 62.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.12 -0.988 . . . . 0.0 110.852 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.571 HE22 ' CD ' ' B' ' 62' ' ' GLU . 1.9 pp0? -73.8 -38.12 64.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.955 -1.091 . . . . 0.0 110.932 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 5.2 pt-20 -89.19 -35.28 16.31 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.224 -1.547 . . . . 0.0 108.301 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' B' ' 27' ' ' LEU . 1.3 t80 -51.41 -45.27 62.5 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 178.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.66 -20.08 1.88 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.565 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -75.91 -50.78 14.02 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.074 -1.016 . . . . 0.0 108.693 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.86 -36.96 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.12 -0.987 . . . . 0.0 109.085 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -66.57 -31.72 72.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.248 -0.908 . . . . 0.0 109.154 -179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.6 ttp -70.9 -27.09 63.53 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.13 -34.78 8.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -73.29 -35.42 66.12 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' A' ' 70' ' ' PHE . 15.3 p -65.35 -40.55 93.77 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.678 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.2 90.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.13 . . . . 0.0 108.546 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.03 -16.28 63.97 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.038 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -103.7 -36.15 7.98 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.434 -0.791 . . . . 0.0 109.439 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.64 -45.4 30.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 111.254 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -66.3 -40.82 90.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.822 -1.174 . . . . 0.0 109.98 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.075 . . . . 0.0 109.538 -179.718 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.66 -19.43 62.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.321 -0.862 . . . . 0.0 110.499 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -36.19 73.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.8 -1.187 . . . . 0.0 109.029 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.48 -47.33 49.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -56.13 25.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.306 -0.871 . . . . 0.0 110.604 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' B' ' 80' ' ' VAL . 13.1 mtm -53.2 -37.61 62.12 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.334 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 t -69.97 -48.67 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.0 109.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -35.35 64.81 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 110.193 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.8 mp -79.35 -46.22 18.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 mm -44.64 -48.61 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.509 -1.369 . . . . 0.0 109.822 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.11 -48.35 73.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.005 -1.06 . . . . 0.0 109.561 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 t -70.93 -26.74 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.317 -0.865 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 33.9 t80 -72.37 -50.7 24.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 109.564 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.624 ' CE1' ' NE2' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -75.67 -30.68 59.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.885 . . . . 0.0 110.36 -178.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.17 -45.69 83.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.001 -1.062 . . . . 0.0 110.104 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -84.91 -55.56 4.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.962 -1.086 . . . . 0.0 109.301 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 44.0 p -52.9 -27.47 18.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.029 -1.044 . . . . 0.0 108.437 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.87 61.91 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 34' ' ' GLU . 44.3 ttt85 -63.41 -44.32 94.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.73 -1.453 . . . . 0.0 109.336 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.1 170.87 19.58 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.665 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.51 -175.46 2.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -44.41 105.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.665 -0.903 . . . . 0.0 109.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 88.8 mttt -52.54 169.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.421 -0.799 . . . . 0.0 109.887 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 8.2 m-70 69.12 3.78 4.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.5 -0.75 . . . . 0.0 111.275 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.9 145.23 50.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.4 tt -93.89 125.18 38.36 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.691 -0.631 . . . . 0.0 109.735 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.6 mtmp? -110.54 157.97 19.06 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.575 -0.703 . . . . 0.0 110.006 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 3.9 ttpm? -48.96 -45.41 41.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.851 -1.156 . . . . 0.0 109.139 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -57.48 -20.25 29.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.137 -0.977 . . . . 0.0 108.613 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LYS . 87.2 mt-10 -98.92 -26.05 14.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.2 -58.62 2.98 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -62.89 -36.17 82.44 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.925 -1.109 . . . . 0.0 109.566 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' A' ' 20' ' ' ARG . 82.7 tt0 -73.76 -30.52 62.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.973 -1.08 . . . . 0.0 109.37 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.02 -34.71 61.93 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 mm -60.03 -45.87 94.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.684 0.754 . . . . 0.0 109.451 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.24 -22.18 42.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.66 -0.65 . . . . 0.0 111.797 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.79 -43.98 7.98 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.754 -1.216 . . . . 0.0 112.97 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 41' ' ' SER . 4.9 tp10 -108.47 -63.48 1.33 Allowed 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.756 -1.215 . . . . 0.0 110.5 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.621 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -72.09 30.09 0.05 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.822 -1.174 . . . . 0.0 108.639 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -92.08 -16.81 25.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.986 -1.071 . . . . 0.0 110.403 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.31 -22.87 20.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.707 -1.245 . . . . 0.0 110.144 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.15 -22.53 11.38 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.419 -0.801 . . . . 0.0 109.117 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.05 135.41 50.92 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -48.91 135.35 15.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.962 . . . . 0.0 109.45 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -56.32 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 110.196 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 36' ' ' ILE . 40.4 mt -70.73 124.39 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 108.76 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -111.12 -14.72 13.84 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 29.2 mp0 -109.6 133.66 52.85 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' VAL . 31.5 mt-30 -69.08 -19.79 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.149 -0.969 . . . . 0.0 109.489 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -40.59 -42.54 1.71 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.448 -0.782 . . . . 0.0 111.114 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.42 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.1 t -71.52 -37.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.647 HG21 ' HB2' ' A' ' 33' ' ' LYS . 41.0 t -67.67 -23.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.0 m-20 -77.82 -34.8 51.83 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -84.7 -40.54 17.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.733 -0.604 . . . . 0.0 109.453 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -38.5 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.707 -1.246 . . . . 0.0 108.44 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.8 mtp -64.64 -33.24 75.47 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.385 -0.822 . . . . 0.0 108.824 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.46 -33.74 74.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.405 -0.81 . . . . 0.0 109.222 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -83.0 -28.09 29.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.387 -0.821 . . . . 0.0 109.731 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.0 -46.23 6.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 110.198 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.6 t0 -55.88 102.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.351 . . . . 0.0 108.798 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.05 -43.45 10.5 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.8 p30 -76.06 -3.02 33.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 42.82 93.55 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 67' ' ' GLU . 43.8 p-10 -92.56 -5.63 51.28 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.546 -0.973 . . . . 0.0 109.215 -179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.57 2.83 90.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 27.2 mt-10 -135.29 169.52 17.35 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' ASP . 1.6 m -120.77 95.41 4.7 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 15.8 m-20 -54.05 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.622 ' CE2' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -68.88 -60.61 2.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.067 -1.021 . . . . 0.0 110.636 -179.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.6 -39.77 5.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.174 -0.954 . . . . 0.0 112.262 -177.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 4.4 pt-20 -90.43 -37.46 13.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.179 -1.576 . . . . 0.0 108.875 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.5 t80 -53.26 -44.33 68.12 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.577 -1.327 . . . . 0.0 108.054 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -44.66 92.06 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.19 -21.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.181 -1.008 . . . . 0.0 109.398 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -76.13 -49.77 16.45 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.954 -1.099 . . . . 0.0 108.336 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -55.96 -40.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.502 -0.749 . . . . 0.0 109.501 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.825 ' O ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -69.0 -24.67 64.25 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 ttt -73.16 -31.16 64.08 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' SD ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -86.49 -33.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 m -65.4 -40.31 93.26 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -58.85 -42.47 89.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.073 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.59 82.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.689 -1.257 . . . . 0.0 108.105 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.36 -16.37 60.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.597 ' NE2' ' CE1' ' B' ' 15' ' ' HIS . 7.1 t-160 -99.47 -34.76 10.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.387 -0.821 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -76.52 -36.08 57.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.547 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -65.65 -52.76 49.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.458 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.343 -0.848 . . . . 0.0 109.525 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.7 -19.51 62.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -0.808 . . . . 0.0 110.507 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -35.98 73.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.695 -1.253 . . . . 0.0 108.992 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.61 -47.29 48.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.508 -0.745 . . . . 0.0 109.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.32 23.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.839 . . . . 0.0 110.583 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 80' ' ' VAL . 12.9 mtm -53.09 -37.74 61.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.201 -0.937 . . . . 0.0 109.294 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.96 -48.56 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.225 -0.922 . . . . 0.0 109.047 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.22 65.18 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.625 -0.672 . . . . 0.0 110.226 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' B' ' 14' ' ' PHE . 6.9 mp -79.37 -46.15 18.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.854 -1.154 . . . . 0.0 111.061 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -44.62 -48.72 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.487 -1.383 . . . . 0.0 109.847 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.0 -48.36 74.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -70.97 -26.67 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 0.0 109.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 33.7 t80 -72.52 -50.45 25.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 109.601 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.597 ' CE1' ' NE2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -75.72 -30.76 59.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.289 -178.46 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.14 -45.65 84.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.016 -1.053 . . . . 0.0 110.098 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -85.04 -55.49 4.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.008 -1.057 . . . . 0.0 109.291 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -52.84 -27.45 18.35 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.049 -1.032 . . . . 0.0 108.469 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.43 3.93 61.75 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' B' ' 34' ' ' GLU . 44.2 ttt85 -63.48 -44.44 94.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.752 -1.44 . . . . 0.0 109.22 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.01 170.87 19.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.658 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.46 -175.48 2.47 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -44.34 105.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.706 -0.879 . . . . 0.0 109.916 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.42 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 88.5 mttt -52.52 168.94 0.09 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.43 -0.794 . . . . 0.0 109.882 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.42 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 8.3 m-70 69.2 3.71 4.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.78 145.16 50.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.116 -0.99 . . . . 0.0 108.966 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.4 tt -93.78 125.17 38.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.647 -0.658 . . . . 0.0 109.757 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.51 157.99 19.02 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.614 -0.679 . . . . 0.0 109.958 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HG3' HG11 ' B' ' 53' ' ' VAL . 3.9 ttpm? -48.92 -45.48 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.818 -1.176 . . . . 0.0 109.088 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 m -57.48 -20.07 28.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 28' ' ' LYS . 87.6 mt-10 -99.03 -26.12 14.34 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -58.75 2.93 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.226 -0.921 . . . . 0.0 109.145 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.627 ' HB2' HG21 ' B' ' 53' ' ' VAL . 0.6 OUTLIER -62.78 -36.3 82.67 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 120.891 -1.131 . . . . 0.0 109.486 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 82.8 tt0 -73.76 -30.5 62.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 35.3 tp -75.01 -34.8 61.97 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.634 HG21 HD12 ' B' ' 47' ' ' ILE . 1.7 mm -59.97 -45.84 94.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 121.68 0.752 . . . . 0.0 109.571 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.26 -22.19 41.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.672 -0.642 . . . . 0.0 111.682 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.77 -43.97 7.99 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.643 -1.286 . . . . 0.0 112.928 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' B' ' 41' ' ' SER . 4.9 tp10 -108.56 -63.51 1.33 Allowed 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.677 -1.264 . . . . 0.0 110.461 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.615 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.6 mm? -72.12 30.11 0.05 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.87 -1.144 . . . . 0.0 108.706 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.545 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.06 -16.91 25.78 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.045 -1.034 . . . . 0.0 110.439 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -91.32 -22.75 20.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.779 -1.2 . . . . 0.0 110.166 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -111.12 -22.69 11.31 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -109.86 135.39 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -48.9 135.33 15.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.525 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -56.21 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 110.235 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.634 HD12 HG21 ' B' ' 36' ' ' ILE . 40.7 mt -70.85 124.55 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -111.25 -14.74 13.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 29.2 mp0 -109.41 133.71 52.74 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' B' ' 53' ' ' VAL . 31.4 mt-30 -69.23 -19.68 63.95 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 50' ' ' GLN . 31.7 mt-10 -40.64 -42.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 0.0 111.095 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -37.88 66.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' B' ' 33' ' ' LYS . 40.2 t -67.7 -23.66 29.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.3 m-20 -77.81 -34.91 51.9 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -84.62 -40.71 17.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.678 -0.639 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -38.53 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.622 -1.299 . . . . 0.0 108.509 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 30.1 mtp -64.65 -33.28 75.58 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.4 -33.86 74.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -83.01 -28.05 29.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.405 -0.809 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.09 -46.1 6.3 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 63' ' ' ASP . 48.5 t0 -56.03 102.43 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.39 -1.444 . . . . 0.0 108.783 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -89.95 -43.45 10.55 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 5.7 p30 -76.03 -3.04 33.61 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.22 42.8 93.57 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 67' ' ' GLU . 43.7 p-10 -92.51 -5.57 51.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.613 -0.934 . . . . 0.0 109.266 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.99 89.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.438 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.4 mt-10 -135.17 169.45 17.43 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' B' ' 69' ' ' ASP . 1.6 m -120.86 95.17 4.6 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.346 -0.846 . . . . 0.0 110.29 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.502 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 15.6 m-20 -53.86 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -68.92 -60.69 2.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.049 -1.032 . . . . 0.0 110.551 -179.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -44.54 -39.91 5.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.116 -0.99 . . . . 0.0 112.126 -177.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 4.4 pt-20 -90.39 -37.42 14.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.192 -1.568 . . . . 0.0 108.878 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.5 t80 -53.4 -44.18 68.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.66 -1.275 . . . . 0.0 108.058 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.438 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -59.15 -44.59 92.11 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.34 -21.18 1.3 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.385 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.16 -49.62 16.77 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 118.976 -1.09 . . . . 0.0 108.286 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -56.01 -40.46 63.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.422 -0.799 . . . . 0.0 109.45 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.829 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -68.94 -24.79 64.31 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttt -73.24 -30.9 63.79 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' SD ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -86.56 -33.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 m -65.44 -40.26 93.07 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.829 HG23 ' O ' ' B' ' 78' ' ' SER . 17.7 p -58.78 -42.6 89.39 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.67 82.71 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.752 -1.218 . . . . 0.0 108.063 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.12 -16.51 60.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.896 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.624 ' NE2' ' CE1' ' A' ' 15' ' ' HIS . 7.1 t-160 -99.48 -34.74 10.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.377 -0.827 . . . . 0.0 108.931 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -76.45 -36.18 58.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.334 -0.854 . . . . 0.0 109.49 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -65.67 -52.75 49.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.342 -0.849 . . . . 0.0 109.564 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.59 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 p -91.41 74.88 6.04 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.111 -0.993 . . . . 0.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -48.01 -31.35 5.27 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.22 -19.78 63.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.532 -0.73 . . . . 0.0 109.552 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.16 -27.62 63.68 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 24.1 mmtt -71.54 -48.3 49.5 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.22 25.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.463 0.649 . . . . 0.0 110.077 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.4 mtt -50.89 -39.19 53.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.283 -0.886 . . . . 0.0 109.78 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.02 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.953 -1.092 . . . . 0.0 109.287 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.248 -0.907 . . . . 0.0 109.719 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 8.9 mp -80.73 -49.08 11.63 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.884 -1.135 . . . . 0.0 110.921 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.74 -28.59 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.71 -1.244 . . . . 0.0 109.502 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -79.34 -49.54 12.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.904 . . . . 0.0 109.38 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 63.7 t -77.03 -27.11 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.232 -0.918 . . . . 0.0 109.195 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' O ' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -73.15 -47.9 40.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.297 -0.877 . . . . 0.0 109.128 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -73.76 -35.37 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.889 . . . . 0.0 110.628 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -65.07 -37.3 87.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.859 -1.151 . . . . 0.0 109.705 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -90.89 -58.9 2.32 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.051 -1.031 . . . . 0.0 109.195 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 38.3 p -54.64 -30.58 55.46 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.963 -1.086 . . . . 0.0 108.449 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.31 -1.0 67.02 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.61 -41.22 89.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.805 -1.409 . . . . 0.0 108.261 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.83 169.44 22.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.675 -0.64 . . . . 0.0 109.697 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.75 -168.04 27.43 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.78 -68.22 0.19 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.227 -1.16 . . . . 0.0 109.087 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 7.2 mmtt -179.59 -7.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.387 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 34.4 m-70 -153.93 47.79 0.63 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.808 -1.182 . . . . 0.0 111.014 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -131.27 144.92 51.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -93.69 125.99 38.62 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.077 -1.014 . . . . 0.0 110.692 -178.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -106.58 152.68 23.4 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' GLU . 2.9 ttpm? -46.88 -47.23 21.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.698 -1.251 . . . . 0.0 110.311 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.6 m -49.01 -10.79 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.096 -1.002 . . . . 0.0 110.885 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' O ' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.06 -45.17 5.48 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -55.41 35.2 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.147 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -63.07 -39.83 95.87 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.776 -1.203 . . . . 0.0 109.136 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' ' ND2' ' A' ' 38' ' ' ASN . 51.4 tp10 -74.66 -31.04 61.81 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.956 -178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.8 tp -76.8 -31.69 57.14 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.31 -39.24 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.31 -0.869 . . . . 0.0 108.76 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -81.91 -23.92 35.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.451 -0.781 . . . . 0.0 110.869 -179.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.513 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 22.9 m-20 -99.74 -42.18 6.96 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.118 -0.989 . . . . 0.0 111.989 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -100.16 -69.95 0.75 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 120.808 -1.183 . . . . 0.0 110.621 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.81 0.17 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.55 -18.01 29.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.878 -1.139 . . . . 0.0 109.802 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -88.05 -28.1 21.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.082 -1.011 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.02 -40.6 5.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.54 -0.725 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 80' ' ' VAL . 7.0 tp -102.67 128.18 49.48 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 109.19 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -55.07 140.28 38.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.677 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.1 pm0 -71.1 104.73 3.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.26 -0.9 . . . . 0.0 109.07 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.5 pt -64.0 135.19 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.98 -1.075 . . . . 0.0 109.755 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 46' ' ' GLU . 1.1 mppt? -97.21 -13.93 21.74 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 51' ' ' GLU . 85.9 mt-10 -123.91 123.85 41.33 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.596 ' CD ' ' H ' ' A' ' 50' ' ' GLN . 1.8 mp0 -53.87 -12.23 0.53 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.131 -0.981 . . . . 0.0 108.45 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' A' ' 49' ' ' GLU . 42.3 tt0 -38.34 -51.6 1.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.709 -0.619 . . . . 0.0 112.283 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -67.9 -35.7 73.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.502 -1.374 . . . . 0.0 107.56 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -67.49 -23.96 30.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 178.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' GLN . 29.7 t0 -78.1 -34.57 50.04 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.79 -42.76 19.27 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -55.07 -44.16 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.791 -1.193 . . . . 0.0 108.282 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.9 mtt -60.25 -33.34 72.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.479 -0.763 . . . . 0.0 109.464 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.54 -27.86 67.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.959 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.8 m -92.62 -27.04 17.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.41 -0.806 . . . . 0.0 109.554 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -100.84 -45.71 5.37 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.359 -0.838 . . . . 0.0 110.762 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 34.8 t0 -55.33 111.28 0.84 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.384 -1.448 . . . . 0.0 109.671 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -89.65 -45.45 9.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 p30 -79.56 -3.05 45.18 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.45 43.27 98.93 Favored Glycine 0 N--CA 1.487 2.049 0 N-CA-C 107.661 -2.176 . . . . 0.0 107.661 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 50.2 p30 -92.08 -5.79 52.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.511 -0.993 . . . . 0.0 110.331 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 75.14 0.05 60.18 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -126.47 171.26 11.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 69' ' ' ASP . 23.4 m -127.47 94.27 3.94 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.145 -0.972 . . . . 0.0 110.652 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 68' ' ' CYS . 14.5 p30 -53.0 -169.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.2 p90 -78.07 -29.74 49.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.645 -1.284 . . . . 0.0 111.048 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.56 -42.55 78.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.169 -0.957 . . . . 0.0 110.985 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -32.03 16.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.754 -1.216 . . . . 0.0 109.353 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.67 -44.84 70.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.611 -1.305 . . . . 0.0 108.154 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -61.85 -45.16 94.98 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 177.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.93 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.6 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.15 -50.84 29.12 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 118.626 -1.23 . . . . 0.0 108.116 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' THR . 52.3 t -56.64 -34.17 41.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.263 -0.898 . . . . 0.0 108.751 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 82' ' ' THR . 0.7 OUTLIER -65.51 -33.82 76.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.431 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 9.1 ttp -75.05 -25.82 58.96 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 44' ' ' LEU . 93.1 t -86.68 -35.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.9 m -73.65 -33.78 64.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 78' ' ' SER . 17.1 p -68.9 -36.18 77.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 0.0 110.683 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.68 82.94 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.673 -1.267 . . . . 0.0 109.029 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.48 -3.34 46.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.276 -0.89 . . . . 0.0 109.592 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -103.25 -37.69 7.57 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.328 -0.858 . . . . 0.0 109.385 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.78 -26.2 34.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 109.234 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.55 -57.21 11.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.425 -0.797 . . . . 0.0 109.28 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.04 -29.23 70.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.237 -0.915 . . . . 0.0 109.384 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -95.53 27.82 3.24 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.231 -0.918 . . . . 0.0 109.733 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -69.21 100.89 1.37 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.094 -1.004 . . . . 0.0 109.159 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.456 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 7.7 tpt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 4' ' ' GLU . 3.6 p -91.3 74.9 6.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.151 -0.968 . . . . 0.0 109.24 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -48.04 -31.42 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.19 -19.79 63.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.534 -0.729 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' B' ' 1' ' ' SER . 68.3 tt0 -71.22 -27.56 63.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -71.54 -48.37 49.12 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.4 -55.19 26.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.503 0.668 . . . . 0.0 110.176 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 27.6 mtt -50.66 -39.41 50.7 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.389 -0.82 . . . . 0.0 109.791 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -79.67 -40.18 20.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.025 -1.047 . . . . 0.0 109.346 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -34.63 78.09 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.251 -0.906 . . . . 0.0 109.719 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.549 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 8.9 mp -80.72 -49.04 11.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.842 -1.161 . . . . 0.0 110.899 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' B' ' 10' ' ' LEU . 58.2 mt -45.74 -28.47 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.695 -1.253 . . . . 0.0 109.538 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.54 -49.46 12.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 109.275 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -77.11 -27.03 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.317 -0.864 . . . . 0.0 109.193 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -73.2 -47.86 40.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.285 -0.884 . . . . 0.0 109.163 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -73.86 -35.31 64.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.308 -0.87 . . . . 0.0 110.569 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -65.11 -37.32 87.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.827 -1.17 . . . . 0.0 109.74 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -90.86 -58.76 2.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.974 -1.079 . . . . 0.0 109.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 33.8 p -54.88 -30.29 57.72 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.005 -1.059 . . . . 0.0 108.483 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.46 -1.07 66.65 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -59.56 -41.29 89.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.848 -1.383 . . . . 0.0 108.286 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -152.62 169.76 21.9 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.606 -0.684 . . . . 0.0 109.66 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.48 -167.99 27.75 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -50.96 -68.12 0.2 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.202 -1.176 . . . . 0.0 109.025 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.523 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 7.2 mmtt -179.63 -7.55 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.278 -0.889 . . . . 0.0 109.36 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 35.1 m-70 -153.9 47.73 0.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.801 -1.187 . . . . 0.0 111.074 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -131.29 144.92 51.63 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -93.58 125.86 38.43 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.14 -0.975 . . . . 0.0 110.732 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -106.48 152.91 23.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 2.8 ttpm? -47.03 -47.29 22.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.611 -1.306 . . . . 0.0 110.254 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.9 m -48.92 -10.8 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.063 -1.023 . . . . 0.0 110.88 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -101.0 -45.33 5.44 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -55.22 37.69 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.115 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -63.25 -39.76 95.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.784 -1.197 . . . . 0.0 109.132 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.514 ' OE2' ' ND2' ' B' ' 38' ' ' ASN . 51.4 tp10 -74.74 -31.11 61.73 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.896 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.7 tp -76.67 -31.81 57.52 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 52.4 mt -70.29 -39.21 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.302 -0.874 . . . . 0.0 108.81 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.6 OUTLIER -81.88 -23.85 36.06 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.483 -0.761 . . . . 0.0 110.902 -179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.514 ' ND2' ' OE2' ' B' ' 34' ' ' GLU . 23.6 m-20 -99.88 -42.14 6.93 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.123 -0.986 . . . . 0.0 111.938 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -100.16 -69.98 0.75 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.793 -1.192 . . . . 0.0 110.596 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.19 37.88 0.17 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 0.0 109.549 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -88.62 -18.06 28.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 109.748 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -88.0 -28.03 21.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.079 -1.013 . . . . 0.0 109.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.93 -40.87 5.35 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.577 -0.702 . . . . 0.0 109.372 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.526 HD13 HG13 ' B' ' 80' ' ' VAL . 6.9 tp -102.51 128.21 49.24 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.399 -0.813 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -55.11 140.33 38.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.1 pm0 -70.98 104.53 3.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.269 -0.894 . . . . 0.0 109.106 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.83 135.1 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.97 -1.081 . . . . 0.0 109.672 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' B' ' 46' ' ' GLU . 1.1 mppt? -97.17 -13.99 21.75 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' B' ' 51' ' ' GLU . 85.1 mt-10 -123.93 123.87 41.36 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.606 ' H ' ' CD ' ' B' ' 50' ' ' GLN . 1.8 mp0 -53.82 -12.23 0.51 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.121 -0.987 . . . . 0.0 108.472 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.459 ' N ' ' C ' ' B' ' 49' ' ' GLU . 41.4 tt0 -38.34 -51.57 1.52 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.728 -0.608 . . . . 0.0 112.29 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.429 HG23 ' H ' ' B' ' 52' ' ' VAL . 0.2 OUTLIER -67.91 -35.76 73.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 C-N-CA 118.287 -1.365 . . . . 0.0 107.585 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.6 OUTLIER -67.45 -24.01 30.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.5 t0 -78.07 -34.57 50.26 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.76 -42.9 19.12 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -54.88 -44.22 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.87 -1.144 . . . . 0.0 108.395 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.445 ' O ' ' N ' ' B' ' 61' ' ' ASP . 20.2 mtt -60.23 -33.53 72.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.407 -0.808 . . . . 0.0 109.396 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.37 -27.99 67.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.114 -0.991 . . . . 0.0 109.009 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.5 m -92.4 -26.92 17.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.366 -0.834 . . . . 0.0 109.57 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.92 -45.78 5.32 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.304 -0.872 . . . . 0.0 110.804 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 34.6 t0 -55.27 111.16 0.8 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.398 -1.439 . . . . 0.0 109.788 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -89.52 -45.43 9.41 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -79.62 -3.03 45.29 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.3 43.51 98.48 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 107.633 -2.187 . . . . 0.0 107.633 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.524 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 51.5 p30 -92.23 -5.82 51.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.517 -0.99 . . . . 0.0 110.289 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.411 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 75.01 0.27 60.08 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.6 mt-10 -126.51 171.39 11.11 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' B' ' 69' ' ' ASP . 23.2 m -127.57 94.28 3.93 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.147 -0.97 . . . . 0.0 110.666 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' B' ' 68' ' ' CYS . 14.8 p30 -53.07 -170.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.694 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.2 p90 -77.9 -29.75 50.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.7 -1.25 . . . . 0.0 111.067 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.54 -42.61 78.18 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.129 -0.982 . . . . 0.0 110.94 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.18 -31.87 16.02 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.694 -1.254 . . . . 0.0 109.361 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -53.82 -44.71 70.44 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.575 -1.328 . . . . 0.0 108.072 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.578 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -61.92 -45.32 94.23 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 177.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.2 -21.97 3.88 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.592 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -71.08 -50.84 29.39 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 118.68 -1.208 . . . . 0.0 108.111 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' B' ' 81' ' ' THR . 53.2 t -56.67 -34.17 41.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 O-C-N 121.271 -0.893 . . . . 0.0 108.762 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -65.41 -33.87 76.97 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.621 0.724 . . . . 0.0 109.086 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 9.5 ttp -75.09 -25.68 58.74 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.526 HG13 HD13 ' B' ' 44' ' ' LEU . 93.2 t -86.67 -35.16 8.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.48 ' N ' ' O ' ' B' ' 77' ' ' VAL . 15.3 m -73.76 -33.73 64.41 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 17.8 p -68.85 -36.35 78.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.219 -0.926 . . . . 0.0 110.798 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.66 83.49 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.685 -1.259 . . . . 0.0 109.005 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 16.0 p -79.72 -3.26 46.68 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.264 -0.898 . . . . 0.0 109.515 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -103.19 -37.83 7.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.362 -0.836 . . . . 0.0 109.371 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.73 -26.33 34.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.258 -0.901 . . . . 0.0 109.159 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.25 -57.37 11.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.385 -0.822 . . . . 0.0 109.366 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.93 -29.27 70.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.303 -0.873 . . . . 0.0 109.46 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -95.45 27.75 3.23 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.214 -0.929 . . . . 0.0 109.679 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -69.2 100.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.062 -1.024 . . . . 0.0 109.211 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.465 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 32.8 tpp . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.6 p -78.67 79.47 5.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.061 -1.025 . . . . 0.0 109.407 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -55.44 -33.22 63.4 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.603 -0.685 . . . . 0.0 109.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.937 HD13 HD21 ' B' ' 40' ' ' LEU . 2.5 mt -72.67 -22.41 60.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' ' CZ ' ' B' ' 43' ' ' PHE . 30.6 tp10 -76.38 -34.19 58.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.679 -1.263 . . . . 0.0 108.98 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -68.87 -46.38 68.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.12 -0.987 . . . . 0.0 108.638 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -56.84 -54.53 45.42 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 3' ' ' LEU . 14.7 mtt -49.42 -40.61 37.09 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.443 -0.786 . . . . 0.0 109.568 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.64 -49.55 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.0 109.415 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.213 -0.929 . . . . 0.0 109.18 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -79.79 -53.72 6.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 0.0 110.378 -179.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.1 mt -46.07 -33.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.218 -0.926 . . . . 0.0 109.55 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.48 -50.46 31.35 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.453 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 t -75.81 -26.27 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.19 -0.944 . . . . 0.0 109.117 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.2 m-85 -69.2 -53.5 19.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.034 -1.041 . . . . 0.0 110.505 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.24 -26.03 59.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 110.76 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.09 -40.22 82.68 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.562 -1.336 . . . . 0.0 110.072 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.545 ' OH ' ' ND2' ' A' ' 38' ' ' ASN . 12.7 m-85 -90.72 -54.59 3.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 109.066 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -56.62 -22.21 32.54 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.84 -1.99 59.78 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' NH1' ' OE1' ' A' ' 34' ' ' GLU . 46.3 ttt180 -61.68 -44.3 97.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.873 -1.369 . . . . 0.0 108.399 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.95 169.67 22.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.527 -0.733 . . . . 0.0 109.667 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.4 -167.98 18.31 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -49.51 -58.29 5.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.968 . . . . 0.0 109.265 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -179.66 -42.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.417 ' NE2' ' OE1' ' B' ' 89' ' ' GLU . 12.1 m-70 -133.29 58.18 1.78 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.458 -0.776 . . . . 0.0 110.496 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' N ' ' OG ' ' A' ' 18' ' ' SER . 9.0 tppt? -131.14 143.98 51.03 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -94.53 130.1 41.07 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.053 -1.029 . . . . 0.0 110.574 -178.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 66.9 mttt -107.87 153.84 22.44 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.7 ttpp -45.5 -46.96 14.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.961 -1.087 . . . . 0.0 109.321 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 m -48.85 -11.6 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.331 -0.856 . . . . 0.0 109.467 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' A' ' 35' ' ' LEU . 36.1 mt-10 -97.26 -37.05 10.22 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 109.347 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -59.64 4.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.809 -1.182 . . . . 0.0 108.335 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -56.75 -36.91 70.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.363 -0.836 . . . . 0.0 109.971 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' OE1' ' NH1' ' A' ' 20' ' ' ARG . 85.8 mt-10 -82.35 -37.07 26.21 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.104 -0.998 . . . . 0.0 110.136 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.6 tp -71.99 -29.72 64.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.147 -0.971 . . . . 0.0 109.26 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -78.13 -41.08 26.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 121.629 -0.669 . . . . 0.0 110.458 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -81.84 -27.21 33.68 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.156 -0.965 . . . . 0.0 112.209 -178.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.545 ' ND2' ' OH ' ' A' ' 17' ' ' TYR . 1.6 p-10 -90.08 -43.17 10.67 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.575 -1.328 . . . . 0.0 111.79 -177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 32.9 mm-40 -102.39 -61.1 1.44 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.984 -1.072 . . . . 0.0 110.473 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.932 HD21 HD13 ' B' ' 3' ' ' LEU . 3.2 mt -78.11 34.96 0.2 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.227 -0.921 . . . . 0.0 109.526 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -17.94 33.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.05 -1.031 . . . . 0.0 110.084 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.23 -18.46 18.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.945 -1.097 . . . . 0.0 109.737 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CZ ' ' CD ' ' B' ' 4' ' ' GLU . 49.7 m-85 -113.07 -37.36 4.8 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.406 -0.809 . . . . 0.0 109.546 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -110.22 130.23 55.58 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -52.17 135.21 32.26 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.088 -1.008 . . . . 0.0 109.613 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.94 103.14 3.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.347 -0.845 . . . . 0.0 108.971 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 pt -63.25 140.31 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.057 -1.027 . . . . 0.0 109.895 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -108.41 -18.11 13.83 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -112.97 148.23 35.48 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' ASP . 21.0 mt-30 -83.92 -19.98 33.79 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.213 -0.93 . . . . 0.0 109.23 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -41.06 -46.01 2.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.328 -0.857 . . . . 0.0 111.971 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.01 -37.26 53.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.585 -1.322 . . . . 0.0 107.965 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.59 -24.24 34.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 30.5 t0 -77.33 -33.15 55.57 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -80.08 -49.27 12.0 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.5 OUTLIER -50.62 -44.06 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.781 -1.199 . . . . 0.0 108.614 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 19.5 mtt -57.95 -37.86 74.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.391 -0.818 . . . . 0.0 109.035 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.47 -35.03 73.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.286 -0.884 . . . . 0.0 109.287 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.7 m -87.02 -33.8 19.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.4 mm? -92.52 -47.92 6.89 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.01 -1.056 . . . . 0.0 110.429 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 4.7 t0 -55.04 108.86 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.261 -1.524 . . . . 0.0 108.631 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -84.42 -50.15 8.03 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.74 -1.19 23.77 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 53.55 46.18 66.13 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 108.121 -1.992 . . . . 0.0 108.121 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 40.2 p-10 -93.94 -5.55 47.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.577 -0.955 . . . . 0.0 109.435 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 61' ' ' ASP . . . 84.49 -0.56 89.25 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 65' ' ' ASP . 17.6 mp0 -131.18 162.64 29.48 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.796 -1.186 . . . . 0.0 107.796 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 34.5 m -116.76 99.26 7.0 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.352 -0.843 . . . . 0.0 111.389 -178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 33.5 t0 -51.76 -176.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.7 OUTLIER -73.95 -29.14 61.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.515 -1.366 . . . . 0.0 111.314 -179.31 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.0 -39.7 65.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.865 -1.147 . . . . 0.0 111.857 -177.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 4.7 pt-20 -89.18 -32.92 17.23 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.19 -1.569 . . . . 0.0 108.229 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CG ' HD22 ' A' ' 27' ' ' LEU . 1.5 t80 -53.07 -46.62 68.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.069 -1.02 . . . . 0.0 108.34 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.448 ' HE2' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -59.95 -43.86 94.74 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.257 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.85 -20.57 2.31 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.159 -1.016 . . . . 0.0 109.368 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 80' ' ' VAL . 25.7 t80 -72.01 -52.2 18.17 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.39 -36.23 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.668 ' O ' HG23 ' A' ' 82' ' ' THR . 8.5 t -65.21 -31.18 72.21 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.958 0.885 . . . . 0.0 108.858 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.17 -31.78 61.09 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.562 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -87.14 -31.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.648 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -36.75 67.71 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 78' ' ' SER . 7.8 p -66.31 -39.45 89.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.187 -0.945 . . . . 0.0 110.478 -178.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.17 95.71 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 120.68 -1.262 . . . . 0.0 108.745 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.16 -23.77 67.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.226 -0.921 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.49 -34.39 12.72 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.435 -0.791 . . . . 0.0 108.914 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 82' ' ' THR . 36.2 tt0 -75.12 -48.38 24.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.512 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -51.87 -45.2 64.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.67 -12.2 2.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.399 -0.813 . . . . 0.0 109.858 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' OE1' ' NE2' ' B' ' 25' ' ' HIS . 89.4 mt-10 -105.71 -14.28 15.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.308 -0.87 . . . . 0.0 109.789 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -57.7 102.26 0.09 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.091 -1.006 . . . . 0.0 109.084 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.346 179.748 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 9.5 p -78.62 79.54 5.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.044 -1.035 . . . . 0.0 109.432 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.73 -33.18 64.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.684 -0.635 . . . . 0.0 109.373 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.932 HD13 HD21 ' A' ' 40' ' ' LEU . 2.6 mt -72.41 -22.64 61.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.16 -0.963 . . . . 0.0 109.981 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.476 ' CD ' ' CZ ' ' A' ' 43' ' ' PHE . 30.3 tp10 -76.18 -34.35 59.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.786 -1.197 . . . . 0.0 109.042 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -69.01 -46.21 68.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 108.589 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.467 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -57.02 -54.52 45.76 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' B' ' 3' ' ' LEU . 14.3 mtt -49.27 -40.67 35.22 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.382 -0.823 . . . . 0.0 109.61 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.46 -49.61 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 109.499 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.17 -30.21 69.18 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.302 -0.874 . . . . 0.0 109.195 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 6' ' ' ALA . 0.9 OUTLIER -79.8 -53.87 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.942 . . . . 0.0 110.407 -179.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 55.2 mt -45.98 -33.29 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.289 -0.882 . . . . 0.0 109.473 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.39 -50.64 30.02 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.394 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.6 -26.33 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.174 -0.954 . . . . 0.0 109.319 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.2 m-85 -69.08 -53.4 20.51 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.985 -1.072 . . . . 0.0 110.556 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -26.12 60.1 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.717 -1.239 . . . . 0.0 110.755 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.12 -40.23 82.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.557 -1.339 . . . . 0.0 110.109 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.535 ' OH ' ' ND2' ' B' ' 38' ' ' ASN . 12.8 m-85 -90.72 -54.86 3.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.941 -1.099 . . . . 0.0 109.042 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.9 OUTLIER -56.43 -22.17 30.09 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.74 -2.13 59.9 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' B' ' 34' ' ' GLU . 44.7 ttt180 -61.77 -44.2 97.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.853 -1.381 . . . . 0.0 108.487 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.95 169.77 21.93 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.606 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.15 -167.99 18.61 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -49.48 -58.21 5.6 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.578 -0.954 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -179.74 -42.85 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.464 ' NE2' ' OE1' ' A' ' 89' ' ' GLU . 12.1 m-70 -133.3 58.3 1.77 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.396 -0.815 . . . . 0.0 110.451 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.428 ' N ' ' OG ' ' B' ' 18' ' ' SER . 9.1 tppt? -131.35 143.95 50.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -94.67 130.29 41.22 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.15 -0.969 . . . . 0.0 110.565 -178.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.504 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 67.9 mttt -108.0 153.86 22.48 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.2 ttpp -45.54 -46.85 14.3 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.994 -1.066 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 7.2 m -49.07 -11.29 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 0.0 109.478 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 29' ' ' LYS . 36.0 mt-10 -97.48 -37.06 10.12 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.37 -0.831 . . . . 0.0 109.335 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -62.89 -59.89 4.22 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.852 -1.155 . . . . 0.0 108.277 178.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -56.53 -37.0 69.88 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.485 -0.759 . . . . 0.0 109.995 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' B' ' 20' ' ' ARG . 86.5 mt-10 -82.43 -36.91 26.19 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.117 -0.989 . . . . 0.0 110.18 -179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 31' ' ' GLU . 63.9 tp -71.92 -30.12 65.02 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.226 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -77.98 -40.99 27.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.653 -0.654 . . . . 0.0 110.406 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 0.4 OUTLIER -81.9 -27.03 33.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.122 -0.986 . . . . 0.0 112.1 -178.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' OH ' ' B' ' 17' ' ' TYR . 1.6 p-10 -90.26 -43.25 10.51 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 120.628 -1.295 . . . . 0.0 111.836 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.499 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 33.1 mm-40 -102.3 -60.88 1.47 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.997 -1.064 . . . . 0.0 110.504 -178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.937 HD21 HD13 ' A' ' 3' ' ' LEU . 3.1 mt -78.25 34.97 0.21 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.108 -0.995 . . . . 0.0 109.587 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -17.87 33.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.938 -1.102 . . . . 0.0 110.135 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.33 -18.26 18.43 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.992 -1.067 . . . . 0.0 109.874 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.475 ' CZ ' ' CD ' ' A' ' 4' ' ' GLU . 49.5 m-85 -113.3 -37.62 4.65 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.527 -0.733 . . . . 0.0 109.441 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 40' ' ' LEU . 15.3 tp -109.8 130.25 55.54 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -52.22 135.23 32.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.023 -1.048 . . . . 0.0 109.669 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -72.02 103.14 3.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.905 . . . . 0.0 108.924 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 pt -63.18 140.45 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.105 -0.997 . . . . 0.0 109.875 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -108.64 -18.08 13.81 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.06 148.36 35.36 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' B' ' 54' ' ' ASP . 22.0 mt-30 -83.87 -20.19 33.53 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.231 -0.918 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -40.93 -46.02 2.69 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.466 -0.771 . . . . 0.0 111.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 53' ' ' VAL . 28.1 m -73.14 -37.08 51.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.521 -1.362 . . . . 0.0 107.873 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.404 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -65.62 -24.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.859 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' B' ' 50' ' ' GLN . 30.6 t0 -77.15 -33.45 56.64 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -79.66 -49.33 12.29 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -50.71 -44.01 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.814 -1.179 . . . . 0.0 108.666 179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.522 ' O ' ' N ' ' B' ' 61' ' ' ASP . 19.8 mtt -57.94 -37.7 74.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.424 -0.798 . . . . 0.0 109.083 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.48 -34.94 73.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.412 -0.805 . . . . 0.0 109.344 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 27.8 m -87.24 -33.65 19.22 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.357 -0.839 . . . . 0.0 110.036 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.69 -48.0 6.8 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.086 -1.009 . . . . 0.0 110.463 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.544 ' OD2' ' N ' ' B' ' 66' ' ' GLY . 4.7 t0 -54.98 108.74 0.43 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.259 -1.526 . . . . 0.0 108.662 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -84.36 -50.29 7.95 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -75.69 -1.29 24.13 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 53.72 46.16 67.58 Favored Glycine 0 N--CA 1.485 1.967 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 40.3 p-10 -94.01 -5.65 47.09 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.459 -1.024 . . . . 0.0 109.412 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.544 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 84.7 -0.63 89.18 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.43 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 17.4 mp0 -131.11 162.51 29.71 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 34.2 m -116.67 99.62 7.26 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.388 -0.82 . . . . 0.0 111.3 -178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 34.0 t0 -52.01 -176.22 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.657 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.99 -29.42 61.96 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.461 -1.399 . . . . 0.0 111.306 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.494 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -72.62 -39.74 67.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.794 -1.191 . . . . 0.0 111.951 -177.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 4.6 pt-20 -89.14 -33.02 17.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.262 -1.524 . . . . 0.0 108.282 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' B' ' 27' ' ' LEU . 1.5 t80 -53.15 -46.66 68.95 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 108.285 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.443 ' HE2' HD13 ' B' ' 10' ' ' LEU . 0.1 OUTLIER -59.77 -44.09 94.04 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 178.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.63 -20.61 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.363 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.407 ' O ' HG13 ' B' ' 80' ' ' VAL . 25.4 t80 -72.08 -52.27 17.64 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -53.23 -36.24 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 122.019 0.914 . . . . 0.0 108.638 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.655 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -65.08 -31.32 72.47 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-O 121.883 0.849 . . . . 0.0 108.83 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttt -75.15 -31.69 61.11 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.755 -0.591 . . . . 0.0 109.564 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.407 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -87.1 -32.16 6.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 178.664 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 21.6 m -72.75 -36.94 67.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.655 HG23 ' O ' ' B' ' 78' ' ' SER . 7.4 p -66.08 -39.65 90.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.048 -1.033 . . . . 0.0 110.431 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.3 96.12 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.776 -1.203 . . . . 0.0 108.73 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 62.9 m -65.12 -23.56 67.17 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.523 -0.871 . . . . 0.0 108.791 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -94.57 -34.47 12.64 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 82' ' ' THR . 36.6 tt0 -75.13 -48.3 24.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.273 -0.892 . . . . 0.0 109.558 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -51.96 -45.0 64.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.276 -0.89 . . . . 0.0 109.041 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -12.51 3.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.363 -0.836 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.417 ' OE1' ' NE2' ' A' ' 25' ' ' HIS . 92.2 mt-10 -105.52 -14.15 15.39 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.308 -0.87 . . . . 0.0 109.784 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.63 102.09 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.072 -1.017 . . . . 0.0 109.028 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.322 179.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.4 ttt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 p -86.58 84.06 7.49 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.356 -0.84 . . . . 0.0 109.898 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' HB1' ' B' ' 9' ' ' ALA . 44.3 mt-10 -59.81 -29.37 68.2 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.744 HD13 HD21 ' B' ' 40' ' ' LEU . 1.5 mt -73.38 -25.77 60.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.285 -0.884 . . . . 0.0 110.096 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -75.28 -31.61 60.78 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.53 -1.356 . . . . 0.0 109.557 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -63.85 -43.08 97.22 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.19 -0.944 . . . . 0.0 108.588 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -51.91 64.08 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 109.811 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.8 mtt -52.26 -43.3 64.31 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.282 -0.886 . . . . 0.0 109.38 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -71.32 -49.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.265 -0.897 . . . . 0.0 109.736 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' B' ' 2' ' ' GLU . . . -58.13 -30.71 66.54 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.52 -0.737 . . . . 0.0 109.224 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.34 -52.59 7.52 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.09 -1.006 . . . . 0.0 110.287 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mt -45.74 -30.54 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.145 -0.972 . . . . 0.0 109.538 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 99.2 m-20 -76.14 -49.08 18.3 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.145 -0.972 . . . . 0.0 109.66 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -78.91 -26.8 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.149 -0.969 . . . . 0.0 109.031 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.98 -53.72 13.83 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.512 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -71.21 -31.53 67.7 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 0.0 110.743 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 37.3 mm-40 -67.94 -36.97 81.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.839 -1.163 . . . . 0.0 110.123 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -93.92 -56.96 2.69 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.009 . . . . 0.0 109.305 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -52.95 -23.36 7.06 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.659 -1.275 . . . . 0.0 108.253 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.82 -3.16 55.08 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 34' ' ' GLU . 44.6 ttt85 -55.2 -37.59 67.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.626 -1.514 . . . . 0.0 108.587 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -170.38 172.98 5.85 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.471 -0.768 . . . . 0.0 109.745 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.37 -177.33 26.0 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -51.28 -58.75 5.36 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.188 -1.183 . . . . 0.0 108.535 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt 169.13 144.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 41.53 46.94 3.16 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.558 -0.714 . . . . 0.0 111.984 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -138.47 147.44 43.23 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.559 -1.338 . . . . 0.0 107.542 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -97.79 125.13 42.46 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.251 -0.906 . . . . 0.0 112.169 -177.085 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -110.27 159.55 17.31 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -51.04 -41.1 59.64 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.799 -1.188 . . . . 0.0 109.681 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -54.88 -18.48 4.96 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 109.635 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' HB2' HD13 ' A' ' 27' ' ' LEU . 72.5 mt-10 -102.69 -34.42 9.06 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -49.37 56.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.378 -0.826 . . . . 0.0 109.085 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -70.31 -36.94 74.62 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 50.4 tt0 -76.94 -32.22 57.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.48 -0.888 . . . . 0.0 109.833 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 49.8 tp -73.76 -33.63 64.36 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.922 -1.111 . . . . 0.0 108.708 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -70.14 -37.71 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.382 -0.824 . . . . 0.0 109.041 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -78.55 -22.52 47.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.971 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -91.86 -43.89 9.24 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.978 -1.076 . . . . 0.0 111.985 -178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.8 mm-40 -110.28 -61.58 1.64 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 120.87 -1.144 . . . . 0.0 110.818 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.779 HD21 HD13 ' B' ' 3' ' ' LEU . 3.9 mt -75.11 31.6 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.9 -1.125 . . . . 0.0 110.258 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 39' ' ' GLU . 23.8 t -85.26 -19.47 31.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.964 -1.085 . . . . 0.0 108.595 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.09 -21.13 21.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.305 -0.872 . . . . 0.0 109.575 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -108.97 -32.99 7.04 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.55 129.18 56.61 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -51.96 140.94 18.96 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.907 -1.12 . . . . 0.0 109.759 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -62.89 103.54 0.46 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.904 -1.122 . . . . 0.0 109.357 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 pt -65.85 132.94 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 109.707 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -105.62 -12.97 15.73 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.54 122.48 38.3 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' VAL . 4.8 pt20 -60.2 -17.08 38.83 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.308 -0.87 . . . . 0.0 109.85 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -43.97 -40.18 4.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.061 . . . . 0.0 111.278 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 52' ' ' VAL . 1.5 p -75.25 -37.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -64.34 -25.16 37.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 178.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.45 -34.11 54.58 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -74.33 -55.22 6.26 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -52.08 -43.27 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ASP . 20.2 mmm -62.35 -27.81 69.32 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.55 -38.51 84.24 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.27 -26.94 38.71 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.823 -0.548 . . . . 0.0 109.92 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.53 -44.19 6.57 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.297 -0.877 . . . . 0.0 110.678 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' MET . 53.7 t0 -55.41 98.87 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.408 -1.432 . . . . 0.0 109.105 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -90.21 -38.43 13.47 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.1 p30 -76.01 -4.91 43.79 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 178.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.14 45.8 93.52 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -105.0 -4.48 21.99 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.63 -0.924 . . . . 0.0 110.182 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.16 -3.76 56.91 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -120.88 166.57 13.61 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 69' ' ' ASP . 11.5 m -126.96 92.07 3.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.385 -0.822 . . . . 0.0 110.145 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -53.05 -175.13 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.65 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -69.63 -28.75 66.17 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.11 -0.994 . . . . 0.0 110.542 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -68.33 -45.22 73.5 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.209 -0.932 . . . . 0.0 111.701 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.65 -32.56 16.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.379 -1.451 . . . . 0.0 108.775 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -51.77 -45.06 63.63 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.835 -1.165 . . . . 0.0 108.822 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.21 -41.46 90.13 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.07 5.24 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.159 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.27 -52.14 30.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.56 -31.89 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.498 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.661 ' O ' HG23 ' A' ' 82' ' ' THR . 7.4 p -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 120.791 -1.193 . . . . 0.0 107.836 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.58 -31.63 57.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.686 -0.633 . . . . 0.0 109.5 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.76 -32.03 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -68.84 -38.21 79.67 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 78' ' ' SER . 4.9 p -61.43 -37.49 83.72 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.57 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.43 70.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.688 -1.257 . . . . 0.0 107.95 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.5 t -53.47 -37.78 62.99 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -73.76 -28.76 61.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -75.08 -49.23 20.35 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.565 -0.71 . . . . 0.0 109.545 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -53.64 -52.31 60.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.109 -0.994 . . . . 0.0 108.991 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.07 -64.26 0.99 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.997 -1.064 . . . . 0.0 109.249 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -82.74 47.22 1.16 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -0.89 . . . . 0.0 109.701 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -70.13 100.32 1.63 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.247 -0.908 . . . . 0.0 109.126 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.33 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 9.0 ttt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.7 p -86.97 84.19 7.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.274 -0.891 . . . . 0.0 109.884 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.483 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 48.2 mt-10 -59.86 -29.42 68.28 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.516 0.674 . . . . 0.0 109.485 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.779 HD13 HD21 ' A' ' 40' ' ' LEU . 1.4 mt -73.19 -25.76 60.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.234 -0.916 . . . . 0.0 110.253 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -75.58 -31.54 60.02 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.595 -1.316 . . . . 0.0 109.612 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -63.92 -43.17 96.72 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.12 67.51 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.879 -0.728 . . . . 0.0 110.044 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 50.7 mtt -53.2 -42.55 66.39 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.321 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.08 -49.01 46.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.126 -0.984 . . . . 0.0 109.783 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.508 ' HB1' ' O ' ' A' ' 2' ' ' GLU . . . -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.109 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mt -80.55 -52.66 7.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.963 . . . . 0.0 110.165 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.9 mt -45.6 -31.03 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.166 -0.959 . . . . 0.0 109.538 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 99.5 m-20 -75.76 -49.09 19.18 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.703 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -79.26 -26.43 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.089 -1.007 . . . . 0.0 109.043 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -70.87 -54.86 9.94 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.381 -0.824 . . . . 0.0 109.235 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -70.46 -31.59 68.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.736 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' B' ' 12' ' ' ASP . 36.1 mm-40 -68.05 -36.85 80.56 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.842 -1.161 . . . . 0.0 109.996 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.92 -56.74 2.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.035 -1.041 . . . . 0.0 109.217 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.8 m -53.14 -23.23 7.72 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.735 -1.228 . . . . 0.0 108.33 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.77 -3.48 54.99 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -55.05 -37.38 66.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.624 -1.515 . . . . 0.0 108.497 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -170.91 172.81 5.41 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.96 -177.29 25.26 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' B' ' 24' ' ' LYS . 36.3 t0 -51.6 -58.19 7.02 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.151 -1.205 . . . . 0.0 108.575 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' B' ' 23' ' ' ASP . 5.4 mmtt 168.65 144.22 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 41.72 47.08 3.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.631 -0.668 . . . . 0.0 111.868 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -138.79 147.55 42.7 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -98.25 124.79 43.05 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.228 -0.92 . . . . 0.0 112.221 -176.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -109.95 159.7 17.03 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -50.98 -41.05 59.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.874 -1.141 . . . . 0.0 109.76 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -55.3 -18.15 5.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.264 -0.897 . . . . 0.0 109.642 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.518 ' HB2' HD13 ' B' ' 27' ' ' LEU . 71.3 mt-10 -102.67 -34.94 8.87 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -49.73 55.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 109.294 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -69.77 -37.17 76.29 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.97 -32.22 57.11 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.856 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 50.8 tp -73.51 -33.93 65.02 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.002 -1.061 . . . . 0.0 108.608 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -69.85 -38.11 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.426 -0.797 . . . . 0.0 108.997 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -78.22 -22.57 48.3 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.953 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.16 -43.63 9.24 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.906 -1.121 . . . . 0.0 111.975 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' B' ' 41' ' ' SER . 37.4 mm-40 -110.87 -61.41 1.69 Allowed 'General case' 0 N--CA 1.506 2.365 0 O-C-N 120.83 -1.169 . . . . 0.0 110.722 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.744 HD21 HD13 ' A' ' 3' ' ' LEU . 3.4 mt -74.6 31.0 0.09 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.911 -1.118 . . . . 0.0 110.201 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' B' ' 39' ' ' GLU . 20.7 t -85.35 -19.41 31.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.694 -1.253 . . . . 0.0 108.658 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -91.02 -21.32 21.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.255 -0.903 . . . . 0.0 109.446 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -108.82 -32.05 7.45 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.19 128.68 56.48 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.07 141.27 18.66 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.983 -1.073 . . . . 0.0 109.677 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.96 103.53 0.46 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.964 -1.085 . . . . 0.0 109.478 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.401 HG21 HD13 ' B' ' 47' ' ' ILE . 6.0 pt -65.88 132.42 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 120.998 -1.064 . . . . 0.0 109.782 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -105.05 -12.71 16.03 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -123.81 121.94 36.72 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' B' ' 53' ' ' VAL . 4.7 pt20 -59.47 -17.56 32.36 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.285 -0.885 . . . . 0.0 109.982 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -43.54 -40.18 3.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.101 -0.999 . . . . 0.0 111.322 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.433 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.4 p -75.44 -37.4 37.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.461 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -64.03 -25.4 38.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 106.087 -1.819 . . . . 0.0 106.087 178.391 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.07 -33.69 57.11 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -74.68 -55.28 6.05 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -51.72 -44.03 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 61' ' ' ASP . 22.5 mmm -61.87 -27.82 69.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -67.77 -38.4 83.37 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -80.39 -27.22 38.19 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.759 -0.588 . . . . 0.0 110.018 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.4 mm? -97.86 -44.11 6.84 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.254 -0.904 . . . . 0.0 110.699 -179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' B' ' 57' ' ' MET . 53.9 t0 -55.6 99.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.334 -1.479 . . . . 0.0 109.109 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -90.33 -38.7 13.18 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -75.86 -5.12 44.49 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.62 45.39 94.73 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -104.61 -4.22 22.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.761 -0.847 . . . . 0.0 110.054 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.51 -2.66 57.38 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -121.24 166.14 14.43 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' B' ' 69' ' ' ASP . 9.9 m -127.35 92.09 3.44 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.273 -0.892 . . . . 0.0 110.155 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' B' ' 69' ' ' ASP . 0.9 OUTLIER -53.0 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -69.7 -29.02 66.34 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.084 -1.01 . . . . 0.0 110.406 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.8 -45.21 75.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.999 -1.063 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.9 -32.55 15.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.387 -1.446 . . . . 0.0 108.957 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -51.89 -44.75 63.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.861 -1.15 . . . . 0.0 108.667 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 4.4 ttt -66.19 -41.62 89.98 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.56 -23.14 5.81 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 118.838 -1.145 . . . . 0.0 109.024 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -68.98 -52.22 31.25 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.38 -32.01 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.472 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 10.8 p -64.45 -30.85 71.88 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.681 -1.262 . . . . 0.0 107.805 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ttp -76.13 -31.65 58.72 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.655 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.42 -32.9 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 105.863 -1.902 . . . . 0.0 105.863 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 25.5 m -68.19 -38.07 81.59 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.713 HG23 ' O ' ' B' ' 78' ' ' SER . 7.2 p -61.96 -37.47 84.86 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.33 70.27 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.496 -1.377 . . . . 0.0 107.89 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 25.8 t -53.21 -37.68 62.23 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -73.86 -28.74 61.73 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -74.83 -49.43 20.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.631 -0.668 . . . . 0.0 109.382 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -53.42 -52.32 59.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.285 -0.885 . . . . 0.0 109.12 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -62.56 -64.36 0.95 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.05 -1.031 . . . . 0.0 109.143 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -82.67 47.14 1.15 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.364 -0.835 . . . . 0.0 109.805 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -70.42 100.25 1.73 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.281 -0.887 . . . . 0.0 109.082 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.274 179.71 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.424 ' H2 ' ' HB2' ' A' ' 4' ' ' GLU . 6.9 ptp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p -107.33 -171.26 1.85 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.363 -0.836 . . . . 0.0 109.928 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.05 -18.77 2.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.62 -0.675 . . . . 0.0 109.348 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.7 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.8 mm? -84.97 -26.97 26.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.389 -0.82 . . . . 0.0 110.117 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' HB2' ' H2 ' ' A' ' 0' ' ' MET . 23.1 tt0 -78.3 -25.03 46.43 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -74.88 -50.54 16.6 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -54.42 46.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.496 -0.752 . . . . 0.0 110.209 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.493 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 8.1 mtm -54.67 -36.85 65.05 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.334 -0.854 . . . . 0.0 109.936 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.48 -47.5 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.891 -1.131 . . . . 0.0 108.724 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.14 -36.64 65.99 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.72 -0.612 . . . . 0.0 109.91 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.6 mp -79.91 -49.02 12.5 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.934 -1.104 . . . . 0.0 111.146 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . 53.3 mt -44.4 -29.02 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 120.719 -1.238 . . . . 0.0 109.731 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -79.16 -50.59 10.75 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.166 -0.959 . . . . 0.0 109.116 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.9 t -74.33 -27.07 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.56 -0.712 . . . . 0.0 109.208 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -73.22 -43.57 61.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.688 -0.632 . . . . 0.0 109.75 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.489 ' ND1' ' NE2' ' B' ' 85' ' ' HIS . 3.1 t-160 -78.12 -32.93 50.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.812 -1.18 . . . . 0.0 110.659 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -67.8 -37.61 82.23 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.951 -1.093 . . . . 0.0 110.741 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -86.47 -54.66 4.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.81 -1.181 . . . . 0.0 108.595 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.7 p -55.52 -21.84 18.64 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.12 1.78 57.74 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -66.95 -47.03 72.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.921 -1.341 . . . . 0.0 109.26 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.99 151.26 29.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.411 -0.806 . . . . 0.0 109.384 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 100.16 -160.06 19.33 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 24' ' ' LYS . 6.2 t70 -49.52 -93.81 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.448 -1.031 . . . . 0.0 109.115 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 16.6 tptm -171.95 -8.95 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.377 -0.827 . . . . 0.0 109.809 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 12.4 m-70 -142.92 35.02 1.38 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.657 -1.277 . . . . 0.0 111.25 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.28 47.11 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 73' ' ' PHE . 3.8 mp -95.01 138.51 32.64 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 122.396 1.093 . . . . 0.0 110.511 -179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLU . 41.4 mttm -108.84 156.59 19.48 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.526 178.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 31' ' ' GLU . 47.2 mtmt -44.83 -49.27 10.89 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.997 -1.064 . . . . 0.0 109.204 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -49.8 -15.76 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 0.0 109.051 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 29' ' ' LYS . 39.0 mt-10 -101.63 -47.57 4.59 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.322 -0.861 . . . . 0.0 109.513 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.98 -36.64 84.2 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.325 -0.859 . . . . 0.0 110.077 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.71 -36.72 25.59 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.636 -1.29 . . . . 0.0 108.164 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -77.15 -30.8 55.21 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.669 -0.812 . . . . 0.0 110.021 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' GLU . 11.9 tp -72.02 -30.23 64.98 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 47' ' ' ILE . 75.1 mt -76.31 -39.15 34.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.249 -0.907 . . . . 0.0 109.418 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -82.69 -24.22 33.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 110.489 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.57 -44.17 7.62 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.908 -1.12 . . . . 0.0 111.168 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 1.5 mp0 -99.35 -69.53 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.104 -0.997 . . . . 0.0 110.054 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -73.91 38.92 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.041 -1.037 . . . . 0.0 109.325 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -92.91 -19.44 21.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.741 -1.224 . . . . 0.0 110.146 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.77 -20.32 21.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.888 -1.132 . . . . 0.0 108.938 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.6 -39.97 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 80' ' ' VAL . 6.6 tp -101.97 138.18 39.28 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' ILE . 34.8 mt-10 -48.17 132.93 15.76 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.281 -0.887 . . . . 0.0 109.552 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.51 84.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.83 . . . . 0.0 109.886 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 36' ' ' ILE . 7.0 mt -56.25 123.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 120.951 -1.093 . . . . 0.0 108.59 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -115.07 -16.41 11.62 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -99.68 151.98 20.6 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -93.21 -29.04 15.91 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.116 -0.99 . . . . 0.0 109.781 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -48.35 -30.92 5.41 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.221 -0.924 . . . . 0.0 110.052 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 53' ' ' VAL . 13.8 p -75.6 -37.98 37.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -67.7 -23.2 29.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 178.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.65 -30.82 57.0 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.9 tptt -83.34 -52.5 6.49 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -46.75 -43.0 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.781 -1.199 . . . . 0.0 108.863 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 6.9 mtt -64.27 -31.83 73.19 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' LYS . 25.1 tt0 -60.98 -32.03 71.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.231 -0.918 . . . . 0.0 109.008 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.9 m -90.17 -33.04 16.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.524 -0.735 . . . . 0.0 109.432 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 60' ' ' LEU . 4.5 mm? -89.0 -43.95 10.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.185 -0.947 . . . . 0.0 110.231 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 57' ' ' MET . 42.2 t0 -55.97 96.08 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.556 -1.34 . . . . 0.0 109.854 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.62 -36.87 14.15 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.9 p-10 -82.01 -3.56 54.76 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.93 45.54 95.44 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 108.223 -1.951 . . . . 0.0 108.223 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' GLU . 53.5 p30 -99.08 -6.04 29.14 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.477 -1.014 . . . . 0.0 109.554 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . 66.85 -1.25 6.04 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.465 -1.854 . . . . 0.0 108.465 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' ASP . 2.3 mp0 -122.96 176.64 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 69' ' ' ASP . 68.8 m -128.01 87.56 2.63 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.264 -0.897 . . . . 0.0 110.333 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 70' ' ' PHE . 35.6 t70 -52.49 -173.56 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.285 -0.884 . . . . 0.0 108.668 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.689 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.0 OUTLIER -74.66 -30.14 61.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.4 -1.437 . . . . 0.0 111.264 -179.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -70.53 -39.3 74.13 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.017 -1.052 . . . . 0.0 110.746 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 33.0 tt0 -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.918 -1.114 . . . . 0.0 109.115 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' CD1' HD22 ' A' ' 27' ' ' LEU . 4.4 t80 -53.58 -45.1 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.064 -1.023 . . . . 0.0 109.057 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 178.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.55 -20.04 1.75 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.558 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -75.23 -51.83 12.37 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.916 -1.114 . . . . 0.0 108.348 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 81' ' ' THR . 78.4 t -54.74 -34.72 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.009 -1.057 . . . . 0.0 108.556 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 82' ' ' THR . 4.1 t -66.24 -28.95 69.12 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.048 -1.032 . . . . 0.0 108.336 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.8 -31.36 59.4 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.152 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -87.8 -31.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 178.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 30.0 m -69.5 -38.23 77.53 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 178.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 78' ' ' SER . 7.7 p -64.45 -39.96 94.81 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 121.337 -0.852 . . . . 0.0 110.705 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.05 73.07 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.559 -1.338 . . . . 0.0 108.471 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -19.92 53.46 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.392 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' NE2' ' ND1' ' B' ' 15' ' ' HIS . 9.9 t-160 -86.12 -38.43 17.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.291 -0.881 . . . . 0.0 109.455 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -77.33 -24.94 50.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 109.554 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.26 -41.39 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.242 -0.911 . . . . 0.0 109.31 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' C ' ' H ' ' A' ' 90' ' ' HIS . 80.6 t80 -58.19 -67.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.96 20.75 0.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.112 -0.992 . . . . 0.0 110.469 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 88' ' ' PHE . 13.4 t-160 -67.29 101.86 0.99 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.91 -1.119 . . . . 0.0 108.991 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.33 179.773 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.421 ' H2 ' ' HB2' ' B' ' 4' ' ' GLU . 6.6 ptp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 13.1 p -106.98 -171.26 1.85 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.495 -0.753 . . . . 0.0 110.011 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -52.99 -18.77 2.17 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.66 -0.65 . . . . 0.0 109.328 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.736 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.8 mm? -85.02 -26.93 26.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.302 -0.874 . . . . 0.0 110.116 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.421 ' HB2' ' H2 ' ' B' ' 0' ' ' MET . 23.1 tt0 -78.41 -25.16 46.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.835 -1.166 . . . . 0.0 109.094 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -74.65 -50.58 17.19 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -54.05 50.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.799 -0.761 . . . . 0.0 110.221 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.412 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.8 mtm -54.88 -36.7 65.41 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.389 -0.82 . . . . 0.0 109.928 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.7 -47.35 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.119 . . . . 0.0 108.73 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.03 -36.79 65.89 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.616 -0.678 . . . . 0.0 110.014 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 11' ' ' ILE . 7.6 mp -79.81 -49.05 12.56 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.995 -1.066 . . . . 0.0 111.112 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.2 mt -44.31 -28.99 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 120.775 -1.203 . . . . 0.0 109.789 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -79.21 -50.6 10.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.004 . . . . 0.0 109.038 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 -27.08 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.464 -0.772 . . . . 0.0 109.207 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.7 OUTLIER -73.16 -43.58 61.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.571 -0.705 . . . . 0.0 109.682 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.458 ' ND1' ' NE2' ' A' ' 85' ' ' HIS . 3.0 t-160 -78.07 -32.96 51.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.839 -1.163 . . . . 0.0 110.651 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.7 -37.65 82.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.787 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -86.49 -54.77 4.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.849 -1.157 . . . . 0.0 108.534 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -55.31 -22.05 17.26 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.99 1.75 57.91 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -66.84 -47.03 73.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.868 -1.372 . . . . 0.0 109.241 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.98 151.37 29.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 109.452 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 100.01 -159.8 19.45 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 24' ' ' LYS . 6.2 t70 -49.75 -93.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.411 -1.052 . . . . 0.0 109.137 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' N ' ' OD1' ' B' ' 23' ' ' ASP . 16.6 tptm -171.77 -8.93 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.913 . . . . 0.0 109.808 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 12.8 m-70 -142.76 34.97 1.41 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.682 -1.261 . . . . 0.0 111.411 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -135.95 146.34 47.17 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.479 HD22 ' CD1' ' B' ' 73' ' ' PHE . 3.8 mp -95.1 138.51 32.71 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 122.412 1.101 . . . . 0.0 110.437 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' B' ' 31' ' ' GLU . 41.6 mttm -109.0 156.5 19.66 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.492 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' B' ' 31' ' ' GLU . 46.8 mtmt -44.73 -49.46 10.54 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.921 -1.112 . . . . 0.0 109.166 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p -49.6 -15.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.443 -0.786 . . . . 0.0 109.043 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' B' ' 35' ' ' LEU . 40.1 mt-10 -101.64 -47.62 4.58 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.401 -0.812 . . . . 0.0 109.558 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.18 -36.33 83.29 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.42 -0.8 . . . . 0.0 110.042 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -82.81 -36.73 25.31 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 120.601 -1.312 . . . . 0.0 108.132 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -77.19 -30.69 54.93 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.991 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 11.2 tp -72.32 -30.29 64.63 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.734 HG21 HD12 ' B' ' 47' ' ' ILE . 74.3 mt -76.04 -39.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.306 -0.872 . . . . 0.0 109.414 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -82.79 -24.34 33.47 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.063 -1.023 . . . . 0.0 110.422 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.44 -44.36 7.57 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 120.966 -1.084 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 1.5 mp0 -99.2 -69.46 0.76 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.062 -1.024 . . . . 0.0 110.078 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.97 38.79 0.11 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.052 -1.03 . . . . 0.0 109.329 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.83 -19.44 21.72 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.744 -1.222 . . . . 0.0 110.161 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -91.89 -20.2 21.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.968 -1.083 . . . . 0.0 108.925 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.7 -39.85 5.24 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' B' ' 80' ' ' VAL . 6.6 tp -102.11 138.18 39.39 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 47' ' ' ILE . 34.6 mt-10 -48.2 132.89 15.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.328 -0.858 . . . . 0.0 109.496 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -55.37 84.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.734 HD12 HG21 ' B' ' 36' ' ' ILE . 6.6 mt -56.21 123.93 8.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 120.998 -1.064 . . . . 0.0 108.59 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.17 -16.23 11.58 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -99.67 151.65 20.97 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -93.18 -28.71 16.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -48.62 -30.85 5.83 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.226 -0.921 . . . . 0.0 109.982 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 53' ' ' VAL . 13.9 p -75.58 -37.89 37.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.435 ' N ' HG13 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -67.74 -23.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 178.502 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -76.77 -30.8 56.68 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 58' ' ' GLU . 5.9 tptt -83.13 -52.63 6.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -46.62 -43.14 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.764 -1.21 . . . . 0.0 108.872 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.472 ' O ' ' N ' ' B' ' 61' ' ' ASP . 7.0 mtt -64.25 -31.65 72.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.687 -0.805 . . . . 0.0 108.856 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 55' ' ' LYS . 24.9 tt0 -61.08 -32.08 71.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.002 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -90.15 -32.93 16.43 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.474 -0.766 . . . . 0.0 109.448 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' B' ' 60' ' ' LEU . 4.5 mm? -89.14 -43.83 10.75 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.327 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' B' ' 57' ' ' MET . 42.4 t0 -56.07 96.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.641 -1.287 . . . . 0.0 109.854 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -90.49 -37.01 14.19 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 17.3 p-10 -81.95 -3.31 54.04 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.76 45.54 95.52 Favored Glycine 0 N--CA 1.487 2.066 0 N-CA-C 108.177 -1.969 . . . . 0.0 108.177 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' B' ' 67' ' ' GLU . 53.7 p30 -99.03 -6.04 29.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -1.045 . . . . 0.0 109.559 -179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.413 ' O ' ' OE2' ' B' ' 67' ' ' GLU . . . 66.71 -0.9 6.3 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' B' ' 65' ' ' ASP . 2.4 mp0 -123.1 176.39 6.08 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' B' ' 69' ' ' ASP . 74.8 m -127.87 87.53 2.63 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.262 -0.899 . . . . 0.0 110.345 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' B' ' 70' ' ' PHE . 35.6 t70 -52.36 -173.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -0.892 . . . . 0.0 108.736 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.693 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -74.58 -30.15 61.6 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.442 -1.411 . . . . 0.0 111.232 -179.139 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -70.5 -39.34 74.22 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.23 -0.918 . . . . 0.0 110.687 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 33.3 tt0 -89.44 -35.92 15.74 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.995 -1.066 . . . . 0.0 109.098 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.479 ' CD1' HD22 ' B' ' 27' ' ' LEU . 4.3 t80 -53.57 -45.18 69.84 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.031 -1.043 . . . . 0.0 108.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.454 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -62.11 -43.4 98.92 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.56 -20.06 1.77 Allowed 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.593 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -74.96 -52.3 11.51 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 118.933 -1.107 . . . . 0.0 108.323 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.442 ' O ' ' OG1' ' B' ' 81' ' ' THR . 77.1 t -54.39 -34.51 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.936 -1.102 . . . . 0.0 108.68 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.715 ' O ' HG23 ' B' ' 82' ' ' THR . 4.4 t -66.37 -29.04 69.13 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.043 -1.036 . . . . 0.0 108.239 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttt -75.83 -31.27 59.28 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.114 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -87.9 -31.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 178.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.493 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 29.2 m -69.59 -38.24 77.23 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.715 HG23 ' O ' ' B' ' 78' ' ' SER . 7.8 p -64.36 -40.05 95.1 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.212 -0.93 . . . . 0.0 110.66 -178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.9 72.97 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 120.552 -1.342 . . . . 0.0 108.423 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.16 -19.56 53.74 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.463 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.489 ' NE2' ' ND1' ' A' ' 15' ' ' HIS . 10.0 t-160 -86.3 -38.42 17.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 109.543 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.43 -25.05 50.31 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 109.45 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -70.09 -41.54 73.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 109.367 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.443 ' C ' ' H ' ' B' ' 90' ' ' HIS . 80.5 t80 -58.12 -66.87 0.41 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.352 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.08 20.75 0.06 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.111 -0.993 . . . . 0.0 110.49 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' B' ' 88' ' ' PHE . 13.2 t-160 -67.25 101.81 0.97 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.012 -1.055 . . . . 0.0 109.009 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.373 179.755 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.0 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p -87.03 78.2 9.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.241 -0.912 . . . . 0.0 109.023 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.13 -33.32 26.06 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.253 0.549 . . . . 0.0 109.635 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mp -71.99 -20.19 61.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.262 -0.898 . . . . 0.0 109.991 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -73.93 -35.48 64.6 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.709 -1.244 . . . . 0.0 108.811 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.56 72.84 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.359 -0.838 . . . . 0.0 108.84 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.46 -55.34 34.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.584 -0.697 . . . . 0.0 110.15 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.424 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 3.5 mtm -50.77 -39.67 53.08 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.098 -1.001 . . . . 0.0 109.631 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.67 -43.62 77.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.094 -1.004 . . . . 0.0 109.386 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -35.86 73.99 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.444 -0.785 . . . . 0.0 110.239 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mp -80.15 -48.18 13.57 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.777 -1.202 . . . . 0.0 111.024 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.93 -29.0 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.719 -1.238 . . . . 0.0 109.893 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -79.28 -51.51 9.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.54 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.16 -25.73 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.267 -0.896 . . . . 0.0 108.899 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -70.85 -48.35 54.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.29 -0.881 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -35.73 62.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.076 -1.015 . . . . 0.0 110.701 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.75 -40.02 94.6 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.871 -1.143 . . . . 0.0 110.15 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 24.2 m-85 -81.12 -53.16 6.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.987 -1.071 . . . . 0.0 108.4 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.5 m -56.79 -29.52 62.75 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.62 5.66 83.56 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -71.34 -51.96 21.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.96 -1.318 . . . . 0.0 109.277 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.27 168.22 24.68 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.305 -0.872 . . . . 0.0 110.606 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.81 -150.18 23.42 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.2 165.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.464 -1.021 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -97.92 -14.77 20.47 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.456 -0.778 . . . . 0.0 111.096 -178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -126.61 27.27 6.13 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.678 -1.263 . . . . 0.0 111.289 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -136.88 148.81 47.28 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 73' ' ' PHE . 5.8 mp -93.11 135.14 34.57 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.293 1.044 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -100.64 151.79 21.2 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 177.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' GLU . 38.1 mttm -43.68 -51.12 7.29 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.69 -1.256 . . . . 0.0 109.51 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.9 m -48.75 -13.63 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.424 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LYS . 44.0 mt-10 -101.32 -40.42 7.13 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.439 -0.788 . . . . 0.0 109.47 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.65 -47.78 68.58 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.267 -0.896 . . . . 0.0 109.431 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -72.29 -35.79 68.79 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.604 -1.31 . . . . 0.0 108.686 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -76.26 -31.83 58.51 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.13 -0.981 . . . . 0.0 109.801 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 31.1 tp -69.72 -29.16 66.48 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG23 HD23 ' A' ' 44' ' ' LEU . 70.1 mt -77.4 -38.72 26.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 41' ' ' SER . 1.4 t30 -85.51 -27.75 25.41 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.085 -1.01 . . . . 0.0 111.626 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -86.73 -46.82 9.66 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.592 -1.317 . . . . 0.0 113.278 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 41' ' ' SER . 5.5 tp10 -110.85 -48.24 3.15 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 120.682 -1.261 . . . . 0.0 109.638 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -79.78 27.9 0.28 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -85.04 -16.54 40.38 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.477 -0.764 . . . . 0.0 110.889 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.4 -24.12 14.58 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.954 -1.092 . . . . 0.0 110.148 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.86 -50.92 3.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.21 -0.931 . . . . 0.0 108.669 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' HD12 ' A' ' 40' ' ' LEU . 47.2 tp -90.85 140.15 30.08 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.002 . . . . 0.0 108.472 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -48.31 131.47 16.62 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.957 . . . . 0.0 109.617 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -59.76 89.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 110.003 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -63.5 125.44 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -107.58 -17.79 14.01 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.547 -0.72 . . . . 0.0 109.296 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.79 148.18 24.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.418 -0.801 . . . . 0.0 109.241 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.21 -28.97 14.76 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 109.73 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.33 -29.4 6.04 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.698 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 53' ' ' VAL . 18.9 m -74.74 -37.36 42.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.83 -23.09 31.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.97 -34.21 38.83 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -77.66 -52.03 9.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.62 -0.675 . . . . 0.0 109.334 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.0 p -49.53 -42.33 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 2.5 mmt -55.6 -31.66 62.43 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.4 tp10 -63.21 -36.85 85.03 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.298 -0.876 . . . . 0.0 109.115 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -81.97 -32.05 30.88 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.296 -0.877 . . . . 0.0 109.675 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -94.14 -45.08 7.7 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.172 -0.955 . . . . 0.0 110.941 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' MET . 34.5 t0 -55.78 106.69 0.27 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.351 -1.468 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' B' ' 62' ' ' GLU . 32.5 tt0 -89.67 -47.47 7.92 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 65' ' ' ASP . 4.9 p30 -76.06 -1.81 27.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.52 42.68 90.35 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' A' ' 63' ' ' ASP . 32.6 p30 -95.82 -3.57 45.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.709 -0.877 . . . . 0.0 109.905 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.63 9.95 66.21 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -129.35 169.97 14.23 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.494 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 30.8 m -127.67 87.55 2.64 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.525 -0.735 . . . . 0.0 109.886 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 68' ' ' CYS . 27.6 t0 -50.47 -175.18 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.737 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.1 p90 -75.16 -30.74 60.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.926 -1.109 . . . . 0.0 110.707 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -71.49 -38.18 71.2 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.261 -0.899 . . . . 0.0 109.937 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 7.0 tt0 -89.75 -38.15 14.03 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.075 -1.016 . . . . 0.0 108.86 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 27' ' ' LEU . 3.1 t80 -52.94 -45.94 67.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.853 -1.154 . . . . 0.0 108.427 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -45.22 84.18 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.92 -18.6 1.4 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.465 -0.894 . . . . 0.0 109.496 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -74.95 -55.54 5.66 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.811 -1.18 . . . . 0.0 108.922 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.402 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.1 t -55.34 -33.03 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.082 -1.011 . . . . 0.0 108.723 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 82' ' ' THR . 37.7 p -65.27 -34.12 77.59 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.862 0.839 . . . . 0.0 109.245 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.54 -28.42 62.84 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.25 -35.02 9.26 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.429 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 19.8 m -69.23 -36.37 77.13 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.661 HG21 ' CD1' ' B' ' 70' ' ' PHE . 12.1 p -65.04 -41.05 95.54 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.277 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.35 69.55 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.447 -1.408 . . . . 0.0 108.639 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.07 -20.4 62.36 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.531 -0.73 . . . . 0.0 109.183 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.43 ' CE1' ' OE1' ' A' ' 89' ' ' GLU . 62.1 t60 -105.17 -30.52 9.65 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 109.395 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -75.38 -48.57 22.32 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.114 -0.991 . . . . 0.0 109.582 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -72.77 -29.58 63.43 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.406 -0.809 . . . . 0.0 109.692 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -79.52 -35.79 39.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 109.541 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' OE1' ' CE1' ' A' ' 85' ' ' HIS . 72.1 tt0 -68.78 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.175 -0.953 . . . . 0.0 108.471 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -72.22 99.24 2.32 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 120.985 -1.072 . . . . 0.0 108.91 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 120.921 -1.112 . . . . 0.0 109.449 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.274 0.559 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p -87.15 78.26 8.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.213 -0.93 . . . . 0.0 109.0 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -51.24 -33.37 27.74 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.95 -20.15 61.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.255 -0.903 . . . . 0.0 110.041 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -73.89 -35.49 64.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.757 -1.215 . . . . 0.0 108.825 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -68.26 -45.59 72.75 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.53 -55.34 34.63 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.429 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 3.5 mtm -50.63 -39.85 51.45 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.12 -0.987 . . . . 0.0 109.517 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.71 -43.42 77.36 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.139 -0.976 . . . . 0.0 109.411 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.84 74.15 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.418 -0.801 . . . . 0.0 110.142 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.6 mp -80.12 -48.24 13.52 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.828 -1.17 . . . . 0.0 110.96 -178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.0 mt -45.9 -29.09 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -79.23 -51.6 9.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.059 -1.026 . . . . 0.0 109.553 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.92 -25.92 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.255 -0.903 . . . . 0.0 108.927 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' B' ' 10' ' ' LEU . 6.3 t80 -70.69 -48.53 54.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -35.91 62.71 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.095 -1.003 . . . . 0.0 110.649 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.66 -39.98 94.62 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.898 -1.126 . . . . 0.0 110.168 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.422 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 24.1 m-85 -81.17 -53.32 6.48 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.379 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 12.5 m -56.8 -29.43 62.7 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.53 5.61 83.71 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -71.26 -52.05 21.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.903 -1.351 . . . . 0.0 109.255 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -150.32 168.03 25.28 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.31 -0.869 . . . . 0.0 110.578 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.94 -149.93 24.6 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -46.39 166.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -1.075 . . . . 0.0 109.669 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -98.1 -14.59 20.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.486 -0.759 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -126.64 27.09 6.15 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.797 -1.189 . . . . 0.0 111.248 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -136.72 148.83 47.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' B' ' 73' ' ' PHE . 5.8 mp -93.04 135.03 34.58 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.245 1.021 . . . . 0.0 110.204 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 0.1 OUTLIER -100.57 151.97 20.97 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 177.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' B' ' 31' ' ' GLU . 38.2 mttm -43.8 -51.14 7.55 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.685 -1.259 . . . . 0.0 109.519 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.3 m -48.85 -13.46 0.05 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.462 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 29' ' ' LYS . 43.4 mt-10 -101.37 -40.39 7.12 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.564 -0.71 . . . . 0.0 109.477 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.8 -47.44 69.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -72.54 -35.8 68.12 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.564 -1.335 . . . . 0.0 108.609 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -76.31 -31.69 58.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.093 -1.005 . . . . 0.0 109.85 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 30.7 tp -69.71 -29.38 66.76 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.442 HG23 HD23 ' B' ' 44' ' ' LEU . 68.8 mt -77.32 -38.78 27.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' B' ' 41' ' ' SER . 1.4 t30 -85.45 -27.69 25.56 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.178 -0.951 . . . . 0.0 111.738 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -86.73 -46.8 9.68 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 120.584 -1.322 . . . . 0.0 113.343 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' B' ' 41' ' ' SER . 5.5 tp10 -110.86 -48.32 3.14 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.678 -1.263 . . . . 0.0 109.653 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -79.67 27.89 0.28 Allowed 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.442 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -85.06 -16.62 40.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.305 -0.872 . . . . 0.0 110.861 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -100.47 -24.13 14.55 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.837 -1.164 . . . . 0.0 110.156 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.7 -51.07 3.53 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.307 -0.871 . . . . 0.0 108.705 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.443 ' HB2' HD12 ' B' ' 40' ' ' LEU . 47.3 tp -90.78 140.2 30.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.054 -1.029 . . . . 0.0 108.495 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -48.33 131.59 16.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.226 -0.921 . . . . 0.0 109.711 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -59.85 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.543 -0.723 . . . . 0.0 110.013 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -63.5 125.58 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -107.65 -17.87 13.98 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.568 -0.708 . . . . 0.0 109.338 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -98.76 148.42 23.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -95.45 -28.97 14.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.3 -0.875 . . . . 0.0 109.726 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.38 -29.36 6.16 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.2 -0.938 . . . . 0.0 109.671 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.441 HG23 ' N ' ' B' ' 53' ' ' VAL . 19.4 m -74.81 -37.41 42.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.441 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.76 -23.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 178.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -79.93 -34.27 39.0 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.4 OUTLIER -77.56 -52.1 9.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.616 -0.677 . . . . 0.0 109.366 179.343 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 57' ' ' MET . 2.0 p -49.5 -42.35 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.519 ' O ' ' N ' ' B' ' 61' ' ' ASP . 2.5 mmt -55.57 -31.74 62.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' B' ' 55' ' ' LYS . 10.4 tp10 -63.15 -36.97 85.37 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.217 -0.927 . . . . 0.0 109.086 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 m -81.99 -31.78 30.94 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.315 -0.866 . . . . 0.0 109.717 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.28 -45.27 7.57 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.198 -0.939 . . . . 0.0 110.893 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 34.6 t0 -55.62 106.54 0.26 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.402 -1.437 . . . . 0.0 109.998 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.412 ' OE2' ' OE2' ' A' ' 62' ' ' GLU . 30.6 tt0 -89.63 -47.3 8.04 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 4.8 p30 -76.04 -1.83 27.78 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.66 42.45 90.9 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 107.514 -2.235 . . . . 0.0 107.514 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.408 ' OD2' ' OD2' ' B' ' 63' ' ' ASP . 32.2 p30 -95.58 -3.56 46.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.607 -0.937 . . . . 0.0 109.926 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.73 9.75 66.17 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -129.0 170.06 13.92 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.477 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 27.5 m -127.71 87.54 2.64 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.517 -0.74 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' B' ' 68' ' ' CYS . 27.7 t0 -50.49 -175.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.444 -0.785 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.661 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.1 p90 -75.21 -30.85 60.72 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.884 -1.135 . . . . 0.0 110.689 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -71.45 -38.12 71.33 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 109.949 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 7.1 tt0 -89.83 -38.03 14.05 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.105 -0.997 . . . . 0.0 108.971 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.446 ' CD1' HD22 ' B' ' 27' ' ' LEU . 3.0 t80 -52.98 -46.12 68.11 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.882 -1.136 . . . . 0.0 108.343 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -45.3 83.47 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.02 -18.5 1.42 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.492 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -74.9 -55.43 5.79 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 108.871 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' B' ' 81' ' ' THR . 75.2 t -55.48 -33.03 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.083 -1.011 . . . . 0.0 108.746 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.637 ' O ' HG23 ' B' ' 82' ' ' THR . 38.2 p -65.28 -33.96 77.21 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.754 0.788 . . . . 0.0 109.125 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttt -72.71 -28.47 62.69 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.15 -35.19 9.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.424 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 18.4 m -69.23 -36.19 76.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.667 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.8 p -65.22 -40.91 94.74 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.526 -0.87 . . . . 0.0 111.204 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.66 -31.4 69.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.531 -1.355 . . . . 0.0 108.646 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.09 -20.09 62.38 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.544 -0.722 . . . . 0.0 109.175 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' B' ' 89' ' ' GLU . 62.7 t60 -105.27 -30.56 9.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.466 -0.771 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -75.33 -48.81 21.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.069 -1.019 . . . . 0.0 109.486 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -72.51 -29.76 63.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.775 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -79.39 -36.01 39.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.137 -0.977 . . . . 0.0 109.552 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' B' ' 85' ' ' HIS . 70.4 tt0 -68.52 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.15 -0.969 . . . . 0.0 108.517 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -72.34 99.26 2.38 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.012 -1.055 . . . . 0.0 108.902 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.522 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 p -86.32 84.42 7.46 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.21 -22.03 16.17 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -75.61 -26.72 58.06 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 110.211 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -76.97 -20.87 55.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.666 -1.271 . . . . 0.0 108.383 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 19.4 mmtt -75.14 -50.6 15.77 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.39 -55.75 21.83 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.345 -0.847 . . . . 0.0 110.956 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.8 mtt -52.64 -36.5 56.76 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.262 -0.899 . . . . 0.0 110.559 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.88 -41.13 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.668 -1.27 . . . . 0.0 109.581 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.75 76.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.535 -0.728 . . . . 0.0 110.162 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' PHE . 7.3 mp -77.82 -45.05 25.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.906 -1.121 . . . . 0.0 109.984 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mm -46.05 -38.52 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.971 -1.081 . . . . 0.0 109.901 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.07 -51.69 17.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.104 -0.997 . . . . 0.0 110.323 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.94 -26.4 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.895 -1.128 . . . . 0.0 108.781 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 31.6 t80 -72.5 -48.79 37.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 109.813 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.494 ' CE1' ' HZ2' ' A' ' 24' ' ' LYS . 3.3 t-160 -78.45 -30.58 47.56 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.012 -1.055 . . . . 0.0 110.71 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -67.55 -40.54 84.95 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.977 -1.077 . . . . 0.0 110.449 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.11 -52.92 7.54 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.95 -1.094 . . . . 0.0 108.975 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' ASP . 21.7 m -56.07 -28.26 56.9 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 1.99 84.45 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -66.65 -50.12 63.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.099 -1.236 . . . . 0.0 108.617 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -160.24 154.03 22.74 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 119.52 -0.872 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.63 -136.14 41.69 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 28' ' ' LYS . 12.7 m-20 -40.3 157.63 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.973 -0.722 . . . . 0.0 110.174 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HZ2' ' CE1' ' A' ' 15' ' ' HIS . 19.7 tttm -100.07 -25.07 14.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.526 -0.734 . . . . 0.0 110.333 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -133.2 33.1 3.65 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.196 -0.94 . . . . 0.0 110.739 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.23 146.97 49.15 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 73' ' ' PHE . 6.9 mp -100.14 136.17 40.45 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 123.03 1.395 . . . . 0.0 110.999 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 23' ' ' ASP . 33.3 mttm -106.48 157.42 17.67 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 114.135 -1.393 . . . . 0.0 107.961 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.8 mtmm -43.38 -50.92 6.71 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.324 -0.86 . . . . 0.0 109.49 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.28 -16.08 0.16 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.29 -0.881 . . . . 0.0 109.423 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' LYS . 32.1 mt-10 -99.89 -36.71 9.32 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.275 -0.891 . . . . 0.0 109.055 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.45 -51.14 31.41 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.549 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.26 -35.68 73.93 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.036 -1.04 . . . . 0.0 109.66 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -76.75 -31.29 57.0 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.006 -1.058 . . . . 0.0 109.772 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.6 tp -70.45 -39.01 74.56 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.73 -44.44 99.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.302 0.572 . . . . 0.0 109.665 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -81.68 -23.01 37.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.355 -0.841 . . . . 0.0 111.314 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.67 -46.13 11.03 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.587 -1.321 . . . . 0.0 111.69 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 41' ' ' SER . 2.5 mp0 -104.66 -61.18 1.49 Allowed 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.788 -1.195 . . . . 0.0 109.273 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.693 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -74.77 35.76 0.1 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.975 -1.078 . . . . 0.0 109.26 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -77.67 -20.1 54.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.0 108.579 178.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -99.34 -17.75 17.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.295 -0.878 . . . . 0.0 109.193 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -104.04 -56.5 2.19 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD21 HG13 ' A' ' 80' ' ' VAL . 72.9 mt -89.86 129.91 36.17 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.89 140.03 31.9 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -66.51 106.0 1.65 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.907 -1.12 . . . . 0.0 109.782 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 pt -70.69 135.47 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.908 -1.12 . . . . 0.0 109.505 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 48' ' ' LYS . 8.8 mtmp? -103.86 -17.65 14.95 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -118.36 138.74 52.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.52 -14.71 59.6 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.145 -0.972 . . . . 0.0 109.439 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -46.86 -34.95 5.83 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.969 -1.082 . . . . 0.0 110.413 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.2 m -77.12 -37.98 26.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 120.519 -1.363 . . . . 0.0 107.72 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -23.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -77.5 -32.26 54.07 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -78.1 -55.5 5.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 2.3 p -49.07 -41.95 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.586 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.3 mmm -60.81 -29.05 69.23 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' LYS . 7.0 tp10 -67.65 -38.12 83.37 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 108.449 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.3 m -78.73 -27.91 44.93 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.49 -0.756 . . . . 0.0 109.416 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -98.17 -44.35 6.63 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.265 -0.897 . . . . 0.0 111.328 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 57' ' ' MET . 37.1 t0 -56.06 100.93 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.113 -1.617 . . . . 0.0 110.032 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.75 -41.72 11.1 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 1.1 p30 -77.19 -4.75 46.27 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.07 44.35 97.38 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 67' ' ' GLU . 13.0 p30 -99.94 -5.83 27.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.473 -1.016 . . . . 0.0 109.965 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.23 0.86 17.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 65' ' ' ASP . 49.0 mt-10 -120.89 172.72 7.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 16.0 m -127.42 90.43 3.13 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.035 -1.041 . . . . 0.0 110.894 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' CYS . 20.4 m-20 -52.77 -174.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.094 -1.004 . . . . 0.0 108.568 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.716 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -73.9 -31.24 63.02 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.335 -1.478 . . . . 0.0 111.253 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -76.24 -30.31 57.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.075 -1.016 . . . . 0.0 110.734 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.71 -40.51 12.48 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.671 -1.268 . . . . 0.0 109.004 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.0 t80 -58.37 -38.78 77.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.126 0.965 . . . . 0.0 108.581 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 14.7 ttt -77.18 -16.37 59.13 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.87 -22.31 46.21 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.56 -49.8 30.01 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.74 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 81' ' ' THR . 49.9 t -57.26 -33.31 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 120.527 -1.358 . . . . 0.0 107.806 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -63.59 -38.0 89.45 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.209 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttt -68.04 -26.31 65.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 44' ' ' LEU . 44.8 t -85.02 -35.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' VAL . 22.2 m -71.63 -36.7 70.84 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.709 HG21 ' CD1' ' B' ' 70' ' ' PHE . 32.6 p -66.1 -41.02 91.17 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.301 -0.874 . . . . 0.0 110.877 -178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.35 -30.32 69.47 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.681 -1.262 . . . . 0.0 108.006 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.6 m -76.58 -22.13 54.68 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.387 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.508 ' CE1' ' OE2' ' A' ' 89' ' ' GLU . 45.8 t60 -87.37 -36.45 17.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.229 -0.92 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.3 -25.19 51.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.0 109.201 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -64.34 -56.12 16.58 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.25 -0.906 . . . . 0.0 109.868 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -68.69 -35.07 76.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.933 -1.104 . . . . 0.0 109.507 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 85' ' ' HIS . 90.6 mt-10 -87.99 5.48 40.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.331 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.406 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 16.8 t-80 -53.65 100.16 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.229 -0.92 . . . . 0.0 109.393 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.564 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 40.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.0 p -86.05 84.27 7.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.027 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.1 -22.28 15.89 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -75.23 -26.53 58.96 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.621 -0.674 . . . . 0.0 110.359 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -76.65 -21.0 56.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.855 -1.153 . . . . 0.0 108.409 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -75.34 -50.6 15.49 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.44 34.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 111.148 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.13 -36.53 60.9 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 110.454 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.5 t -76.54 -42.09 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.899 -1.126 . . . . 0.0 109.594 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.74 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.612 -0.68 . . . . 0.0 110.272 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' B' ' 14' ' ' PHE . 7.6 mp -77.68 -45.27 25.4 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.825 -1.172 . . . . 0.0 109.896 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -46.08 -37.94 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.935 -1.103 . . . . 0.0 109.868 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.5 -51.93 15.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.931 -1.105 . . . . 0.0 110.315 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.82 -26.66 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.083 -1.011 . . . . 0.0 108.691 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 10' ' ' LEU . 29.9 t80 -71.67 -49.53 38.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.342 -0.849 . . . . 0.0 109.725 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.436 ' CE1' ' HZ2' ' B' ' 24' ' ' LYS . 3.3 t-160 -78.19 -30.67 49.13 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.143 -0.973 . . . . 0.0 110.821 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -67.31 -40.07 85.98 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.933 -1.104 . . . . 0.0 110.133 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -79.6 -52.92 7.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.904 -1.123 . . . . 0.0 109.092 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.48 ' O ' ' O ' ' B' ' 23' ' ' ASP . 19.1 m -56.04 -28.38 57.19 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.01 1.76 85.12 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.21 -50.05 62.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.05 -1.264 . . . . 0.0 108.681 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -159.46 154.83 25.49 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 119.421 -0.911 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.09 -135.65 45.91 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' B' ' 28' ' ' LYS . 13.5 m-20 -40.33 158.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.872 -0.781 . . . . 0.0 110.32 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.436 ' HZ2' ' CE1' ' B' ' 15' ' ' HIS . 18.2 tttm -100.79 -23.55 14.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.664 -0.647 . . . . 0.0 110.145 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -134.63 32.65 3.29 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.842 -1.161 . . . . 0.0 110.646 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 146.93 49.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' B' ' 73' ' ' PHE . 6.7 mp -100.53 136.58 40.19 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 122.815 1.293 . . . . 0.0 110.789 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 23' ' ' ASP . 30.6 mttm -107.07 158.2 17.24 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.441 -1.254 . . . . 0.0 107.974 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' B' ' 31' ' ' GLU . 29.6 mtmm -43.93 -50.48 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -48.75 -16.61 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.54 -0.725 . . . . 0.0 109.414 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.449 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 30.1 mt-10 -99.84 -37.49 9.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.256 -0.902 . . . . 0.0 108.898 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -69.79 -51.16 36.29 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.185 -0.947 . . . . 0.0 109.827 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -70.01 -35.95 74.75 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.025 -1.047 . . . . 0.0 109.594 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.06 -31.05 55.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.085 -1.01 . . . . 0.0 110.047 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 20.4 tp -70.05 -39.4 75.73 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.62 -44.9 99.8 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.015 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -81.21 -23.03 38.4 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 111.358 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.34 -46.0 11.38 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.619 -1.3 . . . . 0.0 111.548 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' B' ' 41' ' ' SER . 2.9 mp0 -105.44 -60.64 1.59 Allowed 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.802 -1.186 . . . . 0.0 109.402 -179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.668 HD22 ' H ' ' B' ' 40' ' ' LEU . 1.9 mm? -74.83 35.44 0.1 Allowed 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 118.978 -1.089 . . . . 0.0 109.155 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -77.78 -19.88 54.28 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.171 -0.955 . . . . 0.0 108.704 178.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -98.69 -19.53 17.45 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.223 -0.923 . . . . 0.0 109.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.02 -55.59 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.451 HD21 HG13 ' B' ' 80' ' ' VAL . 73.7 mt -90.8 129.8 36.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.223 -0.923 . . . . 0.0 108.891 179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.04 139.4 28.22 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -66.48 106.46 1.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.924 -1.11 . . . . 0.0 109.638 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.407 HD13 HG21 ' B' ' 47' ' ' ILE . 6.7 pt -71.39 135.33 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.837 -1.164 . . . . 0.0 109.498 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.451 ' CB ' ' NZ ' ' B' ' 48' ' ' LYS . 9.0 mtmp? -103.59 -17.47 15.15 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -118.37 138.12 52.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -76.88 -14.87 59.84 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.13 -0.981 . . . . 0.0 109.619 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -47.1 -34.54 6.06 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.028 -1.045 . . . . 0.0 110.24 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 31.2 m -77.43 -37.74 25.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.562 -1.336 . . . . 0.0 107.59 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -23.57 32.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 178.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.8 -33.02 52.72 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' B' ' 58' ' ' GLU . 0.1 OUTLIER -77.57 -55.45 5.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.7 p -48.93 -42.43 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.581 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.3 mmm -60.14 -29.48 68.66 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 55' ' ' LYS . 7.0 tp10 -67.31 -38.11 84.44 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.133 -0.979 . . . . 0.0 108.503 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 76.6 m -78.95 -27.7 43.6 Favored 'General case' 0 C--N 1.302 -1.46 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.34 -44.18 6.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.244 -0.91 . . . . 0.0 111.193 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' B' ' 57' ' ' MET . 37.6 t0 -55.98 100.44 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 119.976 -1.703 . . . . 0.0 110.016 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.8 -41.71 11.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.6 -4.03 40.82 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.26 44.06 96.77 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -100.02 -5.48 28.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.391 -1.064 . . . . 0.0 110.016 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.22 0.91 17.86 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -121.23 173.72 7.14 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.581 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 21.7 m -128.01 90.25 3.06 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.219 -0.925 . . . . 0.0 110.898 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' B' ' 68' ' ' CYS . 19.3 m-20 -52.73 -174.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 0.0 108.51 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.4 p90 -73.2 -31.65 64.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.562 -1.336 . . . . 0.0 111.292 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -75.74 -30.84 59.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.909 -1.119 . . . . 0.0 110.676 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -89.92 -40.1 12.6 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.703 -1.248 . . . . 0.0 108.965 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.1 t80 -58.13 -38.93 77.46 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 12.8 ttt -77.16 -16.41 59.14 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.6 46.3 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -72.31 -49.62 33.1 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.523 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 81' ' ' THR . 47.8 t -57.68 -32.75 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 120.641 -1.287 . . . . 0.0 107.891 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.713 ' O ' HG23 ' B' ' 82' ' ' THR . 0.7 OUTLIER -63.85 -38.24 90.36 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.8 ttt -67.71 -26.73 66.31 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.451 HG13 HD21 ' B' ' 44' ' ' LEU . 53.7 t -84.99 -35.71 10.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 77' ' ' VAL . 18.1 m -71.81 -36.45 70.25 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.716 HG21 ' CD1' ' A' ' 70' ' ' PHE . 32.1 p -66.11 -40.34 90.66 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.133 -0.979 . . . . 0.0 110.887 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.51 69.84 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.711 -1.243 . . . . 0.0 107.814 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 66.5 m -77.12 -21.47 54.16 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.233 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.488 ' CE1' ' OE2' ' B' ' 89' ' ' GLU . 44.2 t60 -87.46 -36.83 17.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.184 -0.948 . . . . 0.0 109.163 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -77.8 -25.11 48.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.392 -0.818 . . . . 0.0 109.386 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.07 -55.64 20.66 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -69.61 -34.04 73.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.141 -0.974 . . . . 0.0 109.718 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' CE1' ' B' ' 85' ' ' HIS . 92.7 mt-10 -87.89 3.33 48.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 109.474 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -52.6 100.11 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.185 -0.947 . . . . 0.0 109.554 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.509 179.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 p -81.62 77.7 8.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.168 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -50.27 -34.29 22.82 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.638 -0.664 . . . . 0.0 109.5 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.652 HD12 HD21 ' B' ' 40' ' ' LEU . 62.5 mt -72.81 -16.57 61.62 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.931 -1.106 . . . . 0.0 110.178 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.57 -32.06 60.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.606 -1.308 . . . . 0.0 107.695 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.58 -44.73 77.49 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.38 79.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 109.799 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 mtt -54.97 -41.37 71.06 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.35 -0.843 . . . . 0.0 109.845 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -75.91 -43.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.634 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.76 -32.1 73.17 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.344 -0.847 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -79.94 -49.54 11.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HD1' ' B' ' 85' ' ' HIS . 51.7 mt -46.79 -30.75 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.919 -1.113 . . . . 0.0 109.426 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -75.24 -51.5 13.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.493 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 t -75.69 -26.71 18.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.16 -0.962 . . . . 0.0 109.36 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 8.2 t80 -72.37 -46.76 53.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.95 . . . . 0.0 109.577 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -75.87 -32.82 59.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.194 -0.941 . . . . 0.0 110.525 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.13 -38.39 85.47 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.964 -1.085 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 34.4 m-85 -90.16 -59.67 2.13 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.003 -1.061 . . . . 0.0 109.325 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 4.0 m -51.62 -25.16 6.49 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.157 -0.964 . . . . 0.0 108.628 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.72 -0.39 55.3 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 34' ' ' GLU . 21.3 ttt85 -58.42 -40.57 82.84 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.668 -1.489 . . . . 0.0 108.908 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.02 165.08 37.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.481 -0.762 . . . . 0.0 109.985 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.4 -161.9 23.35 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -46.86 -81.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.474 -1.016 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 3.5 tmtm? -172.97 -8.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 109.063 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 16.8 m-70 -155.52 46.94 0.5 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.079 -1.013 . . . . 0.0 110.181 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -127.1 144.98 50.9 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.033 -1.042 . . . . 0.0 108.429 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD22 ' OE2' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -95.73 124.97 39.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.191 -0.943 . . . . 0.0 110.704 -178.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -111.38 156.33 21.77 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' GLU . 19.4 ttpp -46.59 -47.64 19.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.805 -1.184 . . . . 0.0 110.402 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -46.46 -12.46 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 0.0 110.758 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.3 mt-10 -101.14 -36.91 8.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.15 -0.969 . . . . 0.0 108.388 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD12 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -60.0 -58.39 8.76 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.285 -0.885 . . . . 0.0 109.082 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.39 -34.44 77.97 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.238 -0.913 . . . . 0.0 109.649 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 20' ' ' ARG . 65.7 tt0 -78.36 -34.75 48.2 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.387 -0.925 . . . . 0.0 110.101 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.0 tp -71.21 -32.81 69.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.202 -0.936 . . . . 0.0 108.996 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -75.05 -36.23 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.418 -0.801 . . . . 0.0 109.655 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 37' ' ' ASN . 2.7 m120 -82.09 -23.35 35.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.7 -44.14 7.24 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.061 -1.024 . . . . 0.0 111.86 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -103.52 -63.98 1.13 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.002 -1.061 . . . . 0.0 110.416 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD21 HD12 ' B' ' 3' ' ' LEU . 0.5 OUTLIER -76.8 37.04 0.17 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 -179.444 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.83 -21.9 20.4 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.924 -1.11 . . . . 0.0 109.507 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -91.31 -22.51 20.51 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.935 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.11 -49.73 3.68 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 40' ' ' LEU . 6.3 mp -102.66 130.03 49.45 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.85 141.78 16.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.979 . . . . 0.0 108.873 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -70.82 104.5 2.92 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.925 . . . . 0.0 109.286 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.9 pt -57.57 138.82 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.969 -1.082 . . . . 0.0 109.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -104.84 -17.85 14.43 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.43 139.01 52.07 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' ASP . 2.6 pt20 -76.01 -18.89 59.09 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.305 -0.872 . . . . 0.0 109.901 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -42.14 -40.46 2.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.111 -0.993 . . . . 0.0 111.287 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 m -75.4 -36.91 37.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 O-C-N 120.672 -1.268 . . . . 0.0 108.03 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.728 ' CG2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -68.63 -23.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 178.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 m-20 -76.08 -33.07 59.54 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.54 17.85 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -40.05 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 120.826 -1.172 . . . . 0.0 108.357 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ASP . 14.6 mtt -64.54 -36.08 83.04 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.449 -0.782 . . . . 0.0 109.234 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -62.99 -29.3 70.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.235 -0.916 . . . . 0.0 108.989 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.8 m -87.79 -31.43 19.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.522 -0.736 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.1 mm? -95.18 -44.53 7.59 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.134 -0.979 . . . . 0.0 110.765 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' MET . 1.4 m-20 -55.37 111.45 0.88 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.491 -1.38 . . . . 0.0 110.262 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -84.07 -42.52 16.03 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 11.9 p30 -83.18 -1.91 54.18 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.86 43.54 94.71 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 107.604 -2.198 . . . . 0.0 107.604 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -95.37 -4.66 44.91 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.633 -0.922 . . . . 0.0 109.933 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 57' ' ' MET . . . 71.73 5.83 61.69 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 107.923 -2.071 . . . . 0.0 107.923 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -129.43 163.27 26.19 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 69' ' ' ASP . 3.3 m -127.24 98.63 5.35 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.325 -0.859 . . . . 0.0 111.163 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 18.8 t0 -53.91 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -77.16 -36.88 54.79 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.17 -1.582 . . . . 0.0 110.903 -179.01 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' OE1' ' CD2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -73.1 -28.84 62.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.838 -1.164 . . . . 0.0 109.601 -178.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.1 tt0 -89.9 -42.88 10.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -51.89 -42.77 62.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.891 . . . . 0.0 108.829 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.43 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -43.77 98.19 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.71 -19.32 2.32 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.553 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -74.92 -55.37 5.85 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.311 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.2 t -55.53 -32.13 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 120.944 -1.097 . . . . 0.0 108.104 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.756 ' O ' HG23 ' A' ' 82' ' ' THR . 12.9 t -64.25 -31.52 72.75 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.71 -32.07 57.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.783 -0.573 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -33.56 7.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.0 m -67.87 -38.82 83.58 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 78' ' ' SER . 7.4 p -61.34 -40.04 92.79 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.922 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.22 91.83 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.726 -1.234 . . . . 0.0 108.27 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.9 t -63.13 -24.77 68.04 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 119.646 -0.822 . . . . 0.0 108.957 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.555 ' HD1' HG23 ' B' ' 11' ' ' ILE . 65.4 t60 -96.35 -32.9 12.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.382 -0.824 . . . . 0.0 109.529 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -78.88 -43.76 24.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.62 -40.3 78.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.32 -0.863 . . . . 0.0 109.081 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.44 -41.57 65.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.875 . . . . 0.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -82.93 16.84 2.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.491 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -69.59 100.99 1.53 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.203 -0.935 . . . . 0.0 109.366 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.486 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.6 p -81.63 77.81 8.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -0.934 . . . . 0.0 109.208 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.3 -34.26 22.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 40' ' ' LEU . 63.9 mt -72.83 -16.59 61.6 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.92 -1.112 . . . . 0.0 110.169 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.54 -32.1 60.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.56 -1.337 . . . . 0.0 107.707 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -67.57 -44.51 78.03 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -45.18 79.16 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 109.824 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.7 mtt -55.06 -41.43 71.47 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 109.711 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.77 -43.6 40.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 109.645 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.93 73.11 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.302 -0.874 . . . . 0.0 109.739 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.421 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -79.98 -49.51 11.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.003 -1.06 . . . . 0.0 110.562 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.555 HG23 ' HD1' ' A' ' 85' ' ' HIS . 52.9 mt -46.81 -30.76 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.837 -1.164 . . . . 0.0 109.45 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -75.13 -51.59 13.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.179 -0.951 . . . . 0.0 109.443 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.62 -26.87 18.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.163 -0.961 . . . . 0.0 109.318 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -72.18 -46.89 54.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 109.571 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -75.97 -32.73 59.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.136 -0.978 . . . . 0.0 110.526 -178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -67.21 -38.41 85.25 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.003 -1.061 . . . . 0.0 109.793 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.464 ' O ' ' OE2' ' B' ' 31' ' ' GLU . 34.6 m-85 -90.13 -59.68 2.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.346 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -51.42 -25.33 6.09 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.213 -0.929 . . . . 0.0 108.659 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.66 -0.33 55.37 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.461 ' CZ ' ' OE2' ' B' ' 34' ' ' GLU . 21.3 ttt85 -58.45 -40.54 82.9 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.727 -1.455 . . . . 0.0 108.96 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -157.0 165.1 37.1 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.486 -0.759 . . . . 0.0 110.031 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.27 -161.93 23.47 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -46.82 -81.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.394 -1.062 . . . . 0.0 109.292 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.469 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 3.6 tmtm? -172.91 -8.08 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.262 -0.899 . . . . 0.0 109.035 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 17.4 m-70 -155.59 46.93 0.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 110.227 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -127.16 145.0 50.91 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.098 -1.002 . . . . 0.0 108.378 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.415 HD22 ' OE2' ' B' ' 31' ' ' GLU . 0.7 OUTLIER -95.79 125.02 40.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.276 -0.89 . . . . 0.0 110.738 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -111.36 156.2 21.94 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' B' ' 31' ' ' GLU . 19.4 ttpp -46.56 -47.61 19.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.895 -1.128 . . . . 0.0 110.307 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.0 m -46.36 -12.56 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.158 -0.964 . . . . 0.0 110.797 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' B' ' 29' ' ' LYS . 6.4 mt-10 -101.22 -36.74 8.81 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.714 HD12 ' CG2' ' B' ' 53' ' ' VAL . 0.2 OUTLIER -60.13 -58.4 8.69 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.349 -0.845 . . . . 0.0 109.031 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -66.31 -34.36 77.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.001 . . . . 0.0 109.779 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' B' ' 20' ' ' ARG . 65.9 tt0 -78.52 -34.65 47.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.966 . . . . 0.0 110.049 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' B' ' 31' ' ' GLU . 54.6 tp -71.29 -32.72 68.99 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.276 -0.89 . . . . 0.0 108.967 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.4 mt -75.02 -36.35 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.33 -0.856 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.46 ' N ' HD22 ' B' ' 37' ' ' ASN . 2.7 m120 -82.18 -23.26 35.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.274 -0.891 . . . . 0.0 110.755 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -96.68 -44.22 7.21 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.088 -1.008 . . . . 0.0 111.779 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -103.52 -63.92 1.14 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.903 -1.123 . . . . 0.0 110.429 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.652 HD21 HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -76.88 37.16 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.092 -1.005 . . . . 0.0 109.53 -179.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.98 -21.68 20.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.8 -1.188 . . . . 0.0 109.537 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -91.37 -22.62 20.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.271 -0.893 . . . . 0.0 108.95 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.09 -49.66 3.7 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' B' ' 40' ' ' LEU . 6.2 mp -102.79 130.08 49.66 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.76 141.54 16.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.118 -0.989 . . . . 0.0 108.96 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.61 104.46 2.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -0.962 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 47' ' ' ILE . 30.4 pt -57.59 138.89 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.941 -1.099 . . . . 0.0 109.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -104.96 -17.71 14.43 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -118.54 139.1 51.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' B' ' 53' ' ' VAL . 2.6 pt20 -76.21 -18.82 58.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.883 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 50' ' ' GLN . 68.2 tt0 -42.13 -40.38 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.14 -0.975 . . . . 0.0 111.221 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.3 m -75.52 -36.98 36.44 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 120.674 -1.266 . . . . 0.0 108.004 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.714 ' CG2' HD12 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -68.5 -23.71 28.44 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.415 -1.698 . . . . 0.0 106.415 178.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' B' ' 50' ' ' GLN . 6.5 m-20 -76.21 -33.03 59.26 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -82.0 -43.48 17.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -40.15 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.708 -1.245 . . . . 0.0 108.385 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.423 ' O ' ' N ' ' B' ' 61' ' ' ASP . 14.8 mtt -64.4 -36.31 83.73 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.458 -0.776 . . . . 0.0 109.218 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -62.86 -29.37 70.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -0.905 . . . . 0.0 108.925 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 57.6 m -87.82 -31.31 19.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.513 -0.742 . . . . 0.0 109.706 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.2 -44.66 7.52 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.057 -1.027 . . . . 0.0 110.732 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 61' ' ' ASP . 1.4 m-20 -55.43 111.53 0.9 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.496 -1.377 . . . . 0.0 110.216 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -84.02 -42.58 16.03 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 11.8 p30 -83.11 -1.93 54.11 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.84 43.49 94.7 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 107.578 -2.209 . . . . 0.0 107.578 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' B' ' 65' ' ' ASP . 39.5 p-10 -95.3 -4.85 44.83 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.68 -0.894 . . . . 0.0 109.924 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.412 ' O ' ' CE ' ' B' ' 57' ' ' MET . . . 71.9 5.72 62.06 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -129.41 163.32 26.08 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 3.3 m -127.26 98.65 5.35 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.366 -0.834 . . . . 0.0 111.254 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CE1' ' B' ' 70' ' ' PHE . 18.9 t0 -53.8 -166.48 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.587 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -77.2 -36.81 54.58 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.256 -1.528 . . . . 0.0 110.941 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CD2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -73.16 -28.94 62.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.901 -1.124 . . . . 0.0 109.572 -178.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 20.1 tt0 -89.66 -43.02 11.02 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.88 -42.72 62.9 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.177 -0.952 . . . . 0.0 108.868 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.421 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -61.85 -43.85 98.01 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.73 -19.34 2.36 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.543 -0.863 . . . . 0.0 109.487 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -74.83 -55.37 5.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.94 -1.1 . . . . 0.0 108.333 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.57 -32.18 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.772 ' O ' HG23 ' B' ' 82' ' ' THR . 12.3 t -64.19 -31.5 72.72 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttt -76.75 -32.07 57.52 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.763 -0.586 . . . . 0.0 109.905 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.53 -33.39 7.13 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -67.95 -38.93 83.42 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.772 HG23 ' O ' ' B' ' 78' ' ' SER . 7.5 p -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.919 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.13 91.73 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.817 -1.177 . . . . 0.0 108.366 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 t -63.21 -24.82 68.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.655 -0.818 . . . . 0.0 108.944 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.552 ' HD1' HG23 ' A' ' 11' ' ' ILE . 65.3 t60 -96.27 -32.94 12.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 82' ' ' THR . 39.3 tt0 -78.96 -43.68 24.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -57.64 -40.33 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.371 -0.831 . . . . 0.0 109.098 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -72.45 -41.52 66.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.308 -0.87 . . . . 0.0 109.394 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -83.07 16.93 2.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.0 109.498 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -69.6 100.97 1.53 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.093 -1.004 . . . . 0.0 109.404 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.579 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p -78.39 81.84 4.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.241 -0.912 . . . . 0.0 109.07 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 17.2 mp0 -53.1 -33.35 51.83 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.616 -0.677 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.505 HD23 HG21 ' B' ' 13' ' ' VAL . 1.0 OUTLIER -71.96 -21.87 61.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -75.85 -33.86 60.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.929 -1.107 . . . . 0.0 109.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -70.02 -45.3 67.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.32 29.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.297 -0.877 . . . . 0.0 110.105 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 mtt -50.33 -39.96 47.54 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.216 -0.928 . . . . 0.0 109.655 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -72.95 -42.91 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.332 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.06 76.16 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.917 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.539 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 9.8 mp -80.21 -47.96 13.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.928 -1.107 . . . . 0.0 110.778 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.4 mt -44.79 -28.56 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 120.873 -1.142 . . . . 0.0 109.616 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.81 -51.25 9.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.961 . . . . 0.0 109.29 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG21 HD23 ' B' ' 3' ' ' LEU . 20.8 t -74.19 -26.21 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 109.126 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.69 -45.4 62.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.512 -0.743 . . . . 0.0 109.835 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.03 -35.02 50.3 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.891 -1.131 . . . . 0.0 110.396 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.89 -40.45 83.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.103 -0.998 . . . . 0.0 110.616 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -87.63 -57.18 3.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.879 -1.138 . . . . 0.0 109.241 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 4.5 t -53.36 -21.55 5.97 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.779 -1.2 . . . . 0.0 107.817 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.09 1.35 54.79 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.87 -42.48 89.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.8 -1.412 . . . . 0.0 108.338 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -150.86 170.23 19.79 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.13 -163.73 26.83 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -51.06 -69.54 0.11 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.119 -1.224 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' ' H ' ' A' ' 25' ' ' HIS . 29.6 tttt -171.92 -8.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 0.0 109.308 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' H ' ' H ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.218 -0.926 . . . . 0.0 109.697 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' N ' ' OG ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -135.81 141.41 44.72 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.238 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 73' ' ' PHE . 6.7 tt -92.49 119.47 32.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.379 -1.451 . . . . 0.0 110.311 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' N ' HD23 ' A' ' 27' ' ' LEU . 63.2 mttm -108.71 151.39 26.25 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLU . 24.9 ttpt -43.39 -50.7 6.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.129 -0.982 . . . . 0.0 109.937 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.36 -12.58 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.183 -0.948 . . . . 0.0 109.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' LEU . 58.5 mt-10 -99.07 -38.99 8.73 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -61.52 2.2 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.145 -1.022 . . . . 0.0 108.677 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -59.54 -35.44 74.23 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.752 -1.217 . . . . 0.0 110.09 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.62 -33.42 58.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.961 -1.087 . . . . 0.0 109.439 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' GLU . 45.4 tp -73.82 -32.26 63.63 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.639 HG21 HD12 ' A' ' 47' ' ' ILE . 1.2 mm -65.95 -42.24 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.422 -0.798 . . . . 0.0 109.344 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -80.79 -22.19 40.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.643 -0.66 . . . . 0.0 112.125 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.58 -23.29 17.71 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 120.502 -1.374 . . . . 0.0 112.787 -177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' OE2' HG13 ' A' ' 13' ' ' VAL . 50.9 mt-10 -130.57 -50.32 1.07 Allowed 'General case' 0 N--CA 1.507 2.412 0 O-C-N 120.839 -1.163 . . . . 0.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 28.13 0.55 Allowed 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -81.63 -17.14 49.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.823 -1.173 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -98.12 -16.47 19.53 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.993 -1.067 . . . . 0.0 109.562 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.18 -33.53 6.2 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.586 -0.696 . . . . 0.0 109.422 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.81 132.72 49.8 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' ILE . 25.3 mp0 -49.78 135.58 19.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -0.949 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.81 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.739 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD12 HG21 ' A' ' 36' ' ' ILE . 19.0 mt -69.55 123.74 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.0 pttm -120.14 -15.11 8.76 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -105.85 139.4 40.47 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' HG2' ' H ' ' A' ' 50' ' ' GLN . 7.5 pt20 -79.71 -23.42 42.38 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.14 -38.5 5.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.193 -0.942 . . . . 0.0 111.03 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 53' ' ' VAL . 20.3 m -74.99 -38.45 43.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -63.48 -24.88 37.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 178.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -77.98 -35.77 49.77 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -50.38 13.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.464 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.4 p -53.18 -41.04 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.601 -1.312 . . . . 0.0 108.007 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 13.3 mmm -64.85 -33.84 76.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.682 -0.637 . . . . 0.0 109.556 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -64.32 -36.55 84.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.092 -1.005 . . . . 0.0 109.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.3 m -80.45 -31.18 37.49 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.356 -0.84 . . . . 0.0 109.539 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.2 mm? -91.31 -43.59 9.7 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.216 -0.928 . . . . 0.0 111.045 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.04 111.66 0.89 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.364 -1.46 . . . . 0.0 110.019 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 62' ' ' GLU . 2.3 tm-20 -86.82 -43.09 12.75 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 2.9 p30 -82.97 -1.64 53.01 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.74 42.83 91.75 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 107.441 -2.264 . . . . 0.0 107.441 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 p-10 -92.97 -5.17 51.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.886 . . . . 0.0 109.809 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.42 0.78 48.83 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -127.56 163.19 24.7 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 91.3 m -127.4 101.5 6.48 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.351 -0.843 . . . . 0.0 111.865 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 8.1 t70 -55.84 -169.33 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' CD2' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -78.72 -32.81 46.98 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.048 -1.033 . . . . 0.0 110.928 -179.205 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -69.33 -38.65 78.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.13 -0.981 . . . . 0.0 110.238 -178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.4 tt0 -88.36 -39.1 14.59 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.198 -0.939 . . . . 0.0 109.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.2 t80 -53.75 -42.52 68.29 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 120.932 -1.105 . . . . 0.0 109.143 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -63.37 -41.9 98.84 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.81 -24.71 3.7 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.145 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -72.37 -48.45 41.6 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 118.888 -1.125 . . . . 0.0 108.29 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 50.7 t -55.89 -35.92 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 82' ' ' THR . 7.1 t -65.39 -33.86 76.96 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.936 0.874 . . . . 0.0 108.991 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.48 -27.97 61.68 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.4 t -87.04 -35.26 8.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.0 m -66.97 -38.41 86.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 78' ' ' SER . 16.2 p -62.5 -43.53 98.59 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.178 -0.951 . . . . 0.0 110.173 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.92 -35.35 58.25 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.311 -1.493 . . . . 0.0 108.294 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.9 m -70.68 -13.89 62.25 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.215 -0.994 . . . . 0.0 108.461 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 82' ' ' THR . 9.1 t-160 -98.27 -37.55 9.62 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.43 -0.794 . . . . 0.0 109.533 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 90' ' ' HIS . 23.3 mt-10 -75.0 -45.24 43.29 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.919 -1.113 . . . . 0.0 108.823 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.41 -51.4 35.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.575 -0.703 . . . . 0.0 109.512 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -64.78 -25.32 67.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.705 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' CD ' ' NE2' ' A' ' 85' ' ' HIS . 89.4 mt-10 -98.38 -5.16 33.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.246 -0.909 . . . . 0.0 109.654 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.3 t60 -63.4 100.35 0.25 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.0 109.698 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.064 -0.969 . . . . 0.0 109.505 -179.846 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' B' ' 0' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.8 p -78.4 82.1 4.71 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.095 -1.003 . . . . 0.0 109.111 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.605 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 17.7 mp0 -53.05 -33.53 52.34 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.498 0.666 . . . . 0.0 109.3 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.461 HD23 HG21 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -71.9 -21.98 61.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 110.054 -179.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -75.8 -33.81 60.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.944 -1.098 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -70.09 -45.24 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.42 -0.8 . . . . 0.0 109.257 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -55.37 29.5 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.8 mtt -50.47 -39.81 49.1 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.316 -0.865 . . . . 0.0 109.625 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 37.9 t -73.07 -42.93 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.071 -1.018 . . . . 0.0 109.409 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.08 75.96 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.54 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 9.8 mp -80.25 -48.01 13.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.806 -1.184 . . . . 0.0 110.693 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' B' ' 10' ' ' LEU . 52.5 mt -44.73 -28.43 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.771 -1.206 . . . . 0.0 109.682 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.08 -51.15 9.37 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.505 HG21 HD23 ' A' ' 3' ' ' LEU . 19.2 t -74.15 -26.21 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.181 -0.95 . . . . 0.0 109.115 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -71.66 -45.33 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -78.07 -35.32 49.66 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.989 -1.069 . . . . 0.0 110.341 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.58 -40.65 84.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.586 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -87.44 -57.32 2.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.756 -1.215 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 4.3 t -53.35 -21.37 5.65 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.78 -1.2 . . . . 0.0 107.836 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.19 1.29 54.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -58.92 -42.43 89.64 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.742 -1.446 . . . . 0.0 108.368 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -150.64 170.45 19.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.603 -0.685 . . . . 0.0 109.205 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.04 -163.82 26.99 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -51.09 -69.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -1.153 . . . . 0.0 109.279 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' B' ' 25' ' ' HIS . 29.2 tttt -171.93 -8.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.365 -0.834 . . . . 0.0 109.264 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.409 ' H ' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -163.45 68.14 0.19 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.241 -0.912 . . . . 0.0 109.63 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.421 ' N ' ' OG ' ' B' ' 18' ' ' SER . 0.5 OUTLIER -135.79 141.36 44.76 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' CG ' ' B' ' 73' ' ' PHE . 6.7 tt -92.61 119.44 32.05 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.395 -1.441 . . . . 0.0 110.276 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.431 ' N ' HD23 ' B' ' 27' ' ' LEU . 63.6 mttm -108.66 151.32 26.32 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' B' ' 31' ' ' GLU . 24.0 ttpt -43.56 -50.43 7.24 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.189 -0.944 . . . . 0.0 109.908 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 m -50.55 -12.58 0.1 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.196 -0.94 . . . . 0.0 109.853 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 58.9 mt-10 -99.04 -38.86 8.79 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.41 -61.3 2.31 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.707 179.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -59.74 -35.3 74.28 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.722 -1.236 . . . . 0.0 110.031 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -76.75 -33.3 58.11 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.87 -1.144 . . . . 0.0 109.44 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 45.6 tp -73.85 -32.5 63.69 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.627 HG21 HD12 ' B' ' 47' ' ' ILE . 1.2 mm -65.71 -42.21 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 0.0 109.451 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.8 -22.28 40.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.608 -0.682 . . . . 0.0 112.152 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.57 -23.34 17.7 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.471 -1.393 . . . . 0.0 112.828 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.434 ' OE2' HG13 ' B' ' 13' ' ' VAL . 50.1 mt-10 -130.49 -50.31 1.07 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 120.905 -1.122 . . . . 0.0 110.039 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 28.1 0.56 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -81.58 -17.24 49.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.848 -1.158 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -98.11 -16.45 19.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.94 -1.1 . . . . 0.0 109.492 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -112.22 -33.43 6.22 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 0.0 109.47 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.98 132.79 49.89 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' B' ' 47' ' ' ILE . 25.0 mp0 -49.82 135.75 19.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.078 -1.013 . . . . 0.0 109.218 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -46.92 90.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.42 -0.8 . . . . 0.0 109.743 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.627 HD12 HG21 ' B' ' 36' ' ' ILE . 18.8 mt -69.64 123.71 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.124 -0.985 . . . . 0.0 108.497 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -120.09 -15.13 8.78 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.93 139.13 40.95 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' B' ' 50' ' ' GLN . 7.5 pt20 -79.39 -23.62 43.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -45.0 -38.62 4.9 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 111.039 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 53' ' ' VAL . 20.5 m -74.95 -38.37 43.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.605 -1.309 . . . . 0.0 107.508 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.461 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -63.62 -24.85 36.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -77.86 -35.88 50.52 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.46 13.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.373 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -53.19 -41.09 41.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 120.724 -1.235 . . . . 0.0 107.975 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' B' ' 53' ' ' VAL . 13.9 mmm -64.94 -33.76 76.79 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.596 -0.69 . . . . 0.0 109.643 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.35 -36.5 84.33 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.168 -0.957 . . . . 0.0 109.099 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 89.1 m -80.52 -30.98 37.18 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.293 -0.879 . . . . 0.0 109.606 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.35 -43.69 9.61 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.144 -0.973 . . . . 0.0 110.894 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -55.0 111.6 0.87 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.407 -1.433 . . . . 0.0 110.08 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' B' ' 62' ' ' GLU . 2.2 tm-20 -86.92 -42.98 12.75 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -83.03 -1.53 52.91 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.79 42.59 91.78 Favored Glycine 0 N--CA 1.487 2.098 0 N-CA-C 107.435 -2.266 . . . . 0.0 107.435 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -92.93 -5.24 51.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.661 -0.906 . . . . 0.0 109.894 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.8 0.43 49.92 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 108.289 -1.924 . . . . 0.0 108.289 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -127.63 163.22 24.7 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 88.8 m -127.46 101.43 6.43 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.339 -0.851 . . . . 0.0 111.829 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.527 ' OD1' ' CD2' ' B' ' 70' ' ' PHE . 8.1 t70 -55.85 -169.42 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.527 ' CD2' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -78.5 -32.93 48.41 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.981 -1.074 . . . . 0.0 111.005 -179.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.32 -38.55 78.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.107 -0.996 . . . . 0.0 110.287 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 15.5 tt0 -88.43 -39.18 14.45 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.189 -0.944 . . . . 0.0 109.337 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.567 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.3 t80 -53.7 -42.68 68.28 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.918 -1.114 . . . . 0.0 109.167 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.57 ' SD ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -63.19 -41.94 99.27 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 178.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.74 -24.93 3.78 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 118.957 -1.097 . . . . 0.0 109.15 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.37 -48.33 42.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.885 -1.134 . . . . 0.0 108.286 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.87 -35.73 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -65.63 -33.72 76.56 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.873 0.844 . . . . 0.0 109.011 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.56 -27.85 61.54 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 75.9 t -87.01 -35.3 8.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.5 m -66.97 -38.4 86.0 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' SER . 16.2 p -62.59 -43.4 98.89 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.174 -0.954 . . . . 0.0 110.174 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.59 57.03 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.356 -1.465 . . . . 0.0 108.239 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.57 -13.9 62.28 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.318 -0.953 . . . . 0.0 108.522 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' B' ' 82' ' ' THR . 9.0 t-160 -98.24 -37.69 9.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.447 -0.783 . . . . 0.0 109.489 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 90' ' ' HIS . 24.0 mt-10 -74.93 -45.12 44.69 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.895 -1.128 . . . . 0.0 108.872 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -49.45 -51.49 35.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.642 -0.661 . . . . 0.0 109.516 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -64.88 -25.12 67.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.624 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -98.45 -5.19 32.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.274 -0.891 . . . . 0.0 109.639 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' B' ' 86' ' ' GLU . 2.3 t60 -63.51 100.3 0.26 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.927 . . . . 0.0 109.713 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.569 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.4 p -130.04 -164.18 1.39 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.265 -0.897 . . . . 0.0 109.875 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -50.88 -26.37 5.75 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.66 -0.65 . . . . 0.0 109.306 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.75 -27.32 40.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.055 -1.028 . . . . 0.0 109.196 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -75.01 -29.26 60.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.859 -1.15 . . . . 0.0 108.913 179.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -69.42 -46.49 66.68 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.45 -54.75 35.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.473 -0.767 . . . . 0.0 110.438 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.467 ' SD ' ' OG1' ' B' ' 81' ' ' THR . 7.3 mtm -52.96 -37.73 61.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.434 -0.791 . . . . 0.0 110.317 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 t -75.82 -42.33 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.958 -1.089 . . . . 0.0 108.91 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.21 Favored 'General case' 0 C--N 1.292 -1.908 0 C-N-CA 119.828 -0.749 . . . . 0.0 110.253 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.26 -48.84 12.44 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.715 -1.241 . . . . 0.0 110.867 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -46.32 -28.72 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.847 -1.158 . . . . 0.0 109.536 -178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.28 -51.66 9.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 109.566 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.8 t -76.11 -27.05 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.067 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 25' ' ' HIS . 3.1 t80 -73.22 -43.08 61.86 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 119.518 -0.873 . . . . 0.0 110.126 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -78.04 -29.79 49.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.928 -1.108 . . . . 0.0 110.857 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -67.15 -34.33 77.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.905 -1.122 . . . . 0.0 110.282 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' O ' ' OE2' ' A' ' 31' ' ' GLU . 29.5 m-85 -90.67 -56.58 3.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.024 -1.047 . . . . 0.0 108.802 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 3.3 t -53.37 -21.73 6.31 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.135 -0.978 . . . . 0.0 108.527 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.73 -1.9 56.32 Favored Glycine 0 N--CA 1.496 2.687 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -60.84 -43.49 98.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.928 -1.337 . . . . 0.0 109.197 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 4.8 pt-20 -164.25 173.86 11.83 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -162.19 25.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.76 -82.75 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.252 -1.146 . . . . 0.0 109.521 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -171.31 -9.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.294 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' NE2' ' CE1' ' B' ' 85' ' ' HIS . 1.9 t60 -160.24 53.23 0.33 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.628 -1.295 . . . . 0.0 110.723 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' N ' ' OG ' ' A' ' 18' ' ' SER . 1.5 tppp? -136.78 147.94 46.93 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.579 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 1.8 tt -87.05 125.81 34.35 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.893 -1.129 . . . . 0.0 109.822 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -102.99 146.7 27.94 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' GLU . 44.9 mtmt -47.17 -46.9 24.03 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.372 -1.455 . . . . 0.0 109.107 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -49.33 -14.03 0.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.102 -0.999 . . . . 0.0 108.977 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 88.6 mt-10 -101.93 -36.6 8.57 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -47.69 70.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.82 -1.175 . . . . 0.0 108.922 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -69.81 -37.5 76.27 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.39 -33.74 48.6 Favored 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.228 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' GLU . 15.3 tp -71.76 -32.62 67.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.29 -37.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.476 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.84 -23.72 33.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.261 -0.899 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.7 m-20 -97.97 -44.33 6.71 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.913 -1.117 . . . . 0.0 111.817 -177.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' SER . 56.8 mm-40 -100.19 -70.19 0.74 Allowed 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.019 -1.05 . . . . 0.0 109.918 -179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 5.8 mt -72.37 39.33 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 108.774 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.6 t -86.75 -22.1 26.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.518 -1.364 . . . . 0.0 110.216 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -94.64 -17.49 22.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 0.0 110.235 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -109.88 -44.57 3.79 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.304 -0.872 . . . . 0.0 109.312 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.37 133.45 42.75 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.143 -0.973 . . . . 0.0 109.019 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.28 135.14 33.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.62 103.85 0.73 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.92 139.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 120.96 -1.087 . . . . 0.0 108.918 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -119.01 -11.08 9.71 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.26 119.06 34.54 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.605 ' NE2' ' H ' ' A' ' 51' ' ' GLU . 1.7 pm0 -58.08 -21.37 45.64 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.425 -0.797 . . . . 0.0 110.265 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 39.8 tt0 -42.12 -43.44 3.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.121 -0.987 . . . . 0.0 111.685 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.9 m -77.45 -38.26 26.15 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.59 -1.319 . . . . 0.0 107.953 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -24.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' GLN . 18.8 m-20 -76.98 -31.77 56.77 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.2 tmmt? -79.23 -53.22 7.17 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -50.1 -42.55 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 108.696 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.503 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 3.0 mmt -60.82 -30.64 70.2 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' LYS . 21.6 tt0 -67.34 -27.76 67.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.36 -0.837 . . . . 0.0 108.878 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 46.9 m -91.44 -32.02 15.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.448 -0.783 . . . . 0.0 109.906 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 60' ' ' LEU . 4.4 mm? -97.41 -45.22 6.54 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.11 -0.994 . . . . 0.0 111.022 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 37.4 t0 -54.92 109.38 0.51 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.209 -1.557 . . . . 0.0 109.245 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -90.67 -36.11 14.55 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.24 -4.54 58.52 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.05 44.27 88.26 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 13.4 p30 -102.34 -5.01 24.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.792 -0.828 . . . . 0.0 110.306 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.87 6.93 88.58 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.01 152.96 50.83 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 55.7 m -113.9 98.81 7.23 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.223 -0.923 . . . . 0.0 110.513 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.75 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.705 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.3 p90 -76.01 -31.29 58.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.851 -1.155 . . . . 0.0 111.058 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.99 -44.6 79.99 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.247 -0.908 . . . . 0.0 111.12 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -90.09 -31.73 17.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.479 -1.388 . . . . 0.0 109.455 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 8.8 t80 -54.29 -41.39 68.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.512 -1.368 . . . . 0.0 108.873 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.52 -42.31 87.46 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.44 -21.76 4.02 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.293 -0.963 . . . . 0.0 109.445 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -73.27 -53.17 11.52 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' O ' ' OG1' ' A' ' 81' ' ' THR . 22.0 t -53.79 -33.18 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 82' ' ' THR . 1.9 t -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-O 121.783 0.802 . . . . 0.0 108.958 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.22 -32.25 64.65 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.496 -0.752 . . . . 0.0 109.834 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -32.65 6.62 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.448 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.9 m -68.49 -36.51 79.02 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 78' ' ' SER . 11.7 p -63.7 -40.24 96.29 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.438 -0.788 . . . . 0.0 110.256 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.7 74.0 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.661 -1.274 . . . . 0.0 107.898 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.5 m -70.36 -18.95 63.07 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' CD2' ' B' ' 25' ' ' HIS . 2.7 t-80 -92.72 -35.18 13.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.322 -0.861 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 90' ' ' HIS . 8.0 pt-20 -74.93 -37.65 61.96 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.337 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.54 -57.18 13.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.811 . . . . 0.0 109.169 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.56 -33.67 76.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -92.87 15.27 15.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' GLU . 1.4 t-80 -68.24 99.96 0.98 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.047 -1.033 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.524 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 66.4 p -130.22 -164.4 1.42 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.369 -0.832 . . . . 0.0 109.804 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -50.64 -27.29 6.63 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' B' ' 3' ' ' LEU . 1.3 mm? -78.86 -27.31 44.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.803 -1.186 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 0.3 OUTLIER -74.95 -29.36 60.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.888 -1.133 . . . . 0.0 108.914 179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -69.35 -46.31 67.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -54.11 42.33 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.428 -0.795 . . . . 0.0 110.482 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.448 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 7.5 mtm -53.1 -37.7 61.94 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.219 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -75.71 -41.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.962 -1.086 . . . . 0.0 108.955 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.14 75.9 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.107 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.7 mp -80.1 -49.01 12.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.725 -1.234 . . . . 0.0 110.93 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 68.3 mt -46.03 -28.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.765 -1.21 . . . . 0.0 109.733 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -78.38 -51.59 9.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.112 -0.993 . . . . 0.0 109.457 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 42.6 t -76.15 -26.95 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.188 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.551 ' CE2' ' NE2' ' B' ' 25' ' ' HIS . 3.0 t80 -73.39 -42.91 61.55 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.098 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -78.09 -29.93 49.32 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.949 -1.094 . . . . 0.0 110.855 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -67.08 -34.24 77.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.034 -1.041 . . . . 0.0 110.305 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.78 -56.72 3.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.03 -1.044 . . . . 0.0 108.817 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 3.3 t -53.28 -21.59 5.71 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 108.418 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.82 -1.96 56.23 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -60.79 -43.66 97.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.817 -1.402 . . . . 0.0 109.194 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.554 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 4.9 pt-20 -164.11 173.79 12.06 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.352 -0.842 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.67 -162.35 25.4 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.44 -82.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.357 -1.084 . . . . 0.0 109.639 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.413 ' H ' ' H ' ' B' ' 25' ' ' HIS . 45.1 tptt -171.33 -9.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 109.402 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.629 ' CD2' ' CE1' ' A' ' 85' ' ' HIS . 1.9 t60 -160.18 53.33 0.33 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.677 -1.264 . . . . 0.0 110.771 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.506 ' N ' ' OG ' ' B' ' 18' ' ' SER . 1.6 tppp? -137.02 147.89 46.51 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 1.8 tt -87.0 125.77 34.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.864 -1.147 . . . . 0.0 109.804 -179.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.554 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -102.94 146.76 27.83 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' B' ' 31' ' ' GLU . 45.2 mtmt -47.23 -46.82 24.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.357 -1.464 . . . . 0.0 109.15 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -49.35 -13.95 0.09 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.14 -0.975 . . . . 0.0 109.081 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' B' ' 35' ' ' LEU . 88.7 mt-10 -101.9 -36.61 8.58 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -47.76 70.34 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.852 -1.155 . . . . 0.0 108.948 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -69.69 -37.75 76.73 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -78.17 -33.67 50.07 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 119.664 -0.814 . . . . 0.0 110.242 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' B' ' 31' ' ' GLU . 15.4 tp -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 120.992 -1.067 . . . . 0.0 108.32 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -74.45 -36.99 43.58 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 109.428 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -82.91 -23.73 33.42 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.253 -0.904 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 1.7 m-20 -97.88 -44.37 6.72 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.139 -0.976 . . . . 0.0 111.762 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' B' ' 41' ' ' SER . 56.6 mm-40 -100.09 -70.33 0.74 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 120.954 -1.091 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -72.39 39.33 0.08 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 108.83 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.6 t -86.69 -22.06 26.3 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.575 -1.328 . . . . 0.0 110.1 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -94.81 -17.58 21.99 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -109.82 -44.47 3.82 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.309 -0.869 . . . . 0.0 109.355 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.49 133.36 42.97 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 109.088 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -52.2 135.07 32.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.476 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.5 103.65 0.69 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.93 139.6 19.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 120.89 -1.131 . . . . 0.0 108.934 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -119.09 -10.97 9.7 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -116.16 118.79 33.81 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.61 ' NE2' ' H ' ' B' ' 51' ' ' GLU . 1.7 pm0 -57.84 -21.34 42.0 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.526 -0.734 . . . . 0.0 110.252 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.61 ' H ' ' NE2' ' B' ' 50' ' ' GLN . 39.9 tt0 -42.19 -43.36 3.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.078 -1.014 . . . . 0.0 111.748 -178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.425 ' H ' HG22 ' B' ' 52' ' ' VAL . 5.2 m -77.61 -37.91 25.05 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.622 -1.298 . . . . 0.0 107.932 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -23.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' B' ' 50' ' ' GLN . 18.5 m-20 -77.07 -31.68 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 177.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 58' ' ' GLU . 1.2 tmmt? -79.29 -53.17 7.21 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.4 p -50.18 -42.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.857 -1.152 . . . . 0.0 108.699 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.506 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 3.0 mmt -61.1 -30.55 70.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 55' ' ' LYS . 21.9 tt0 -67.46 -27.8 67.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 108.765 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 48.0 m -91.34 -31.95 15.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.53 -0.731 . . . . 0.0 109.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -97.48 -45.35 6.46 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.226 -0.921 . . . . 0.0 111.019 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 37.4 t0 -54.91 109.57 0.54 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.246 -1.534 . . . . 0.0 109.112 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -90.77 -36.14 14.45 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.14 -4.62 58.56 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.0 44.34 87.99 Favored Glycine 0 N--CA 1.487 2.058 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 13.5 p30 -102.47 -4.82 24.81 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.782 -0.834 . . . . 0.0 110.366 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.82 6.77 88.53 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -131.83 152.88 50.7 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.506 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 52.5 m -113.69 98.69 7.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.375 -0.828 . . . . 0.0 110.627 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.7 OUTLIER -54.38 -170.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 179.356 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.3 p90 -76.0 -31.36 58.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.812 -1.18 . . . . 0.0 110.902 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.84 -44.46 80.98 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 111.172 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.6 pt-20 -90.39 -31.61 16.79 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.475 -1.391 . . . . 0.0 109.482 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 8.9 t80 -54.32 -41.86 69.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.591 -1.318 . . . . 0.0 108.839 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -41.95 89.52 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.86 -21.64 4.5 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.476 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -73.25 -53.22 11.43 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' B' ' 81' ' ' THR . 21.8 t -53.57 -33.18 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.106 -0.996 . . . . 0.0 108.401 178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.783 ' O ' HG23 ' B' ' 82' ' ' THR . 1.8 t -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.855 0.836 . . . . 0.0 108.985 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.2 ttt -73.06 -32.42 65.02 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.544 -0.723 . . . . 0.0 109.936 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -86.55 -32.65 6.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.467 ' OG1' ' SD ' ' A' ' 7' ' ' MET . 45.3 m -68.44 -36.61 79.28 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.783 HG23 ' O ' ' B' ' 78' ' ' SER . 11.1 p -63.46 -40.43 97.1 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.357 -0.839 . . . . 0.0 110.213 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.77 74.14 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.715 -1.241 . . . . 0.0 107.931 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 15.1 m -70.26 -19.2 63.13 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.629 ' CE1' ' NE2' ' A' ' 25' ' ' HIS . 2.6 t-80 -92.5 -35.07 13.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.458 -0.777 . . . . 0.0 109.366 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' B' ' 90' ' ' HIS . 8.1 pt-20 -74.97 -37.52 61.89 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 118.927 -1.109 . . . . 0.0 109.439 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -57.78 -57.04 14.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.428 -0.795 . . . . 0.0 109.166 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.56 -33.92 76.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.525 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -92.72 15.4 14.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.128 -0.983 . . . . 0.0 109.368 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' B' ' 86' ' ' GLU . 1.4 t-80 -68.31 99.7 0.96 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.993 -1.067 . . . . 0.0 109.377 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.526 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.522 ' O ' ' CB ' ' A' ' 1' ' ' SER . 19.4 mmt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 0' ' ' MET . 0.7 OUTLIER 88.69 12.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.448 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.54 -29.31 58.71 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.31 -22.77 61.89 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.61 -27.99 37.16 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -44.29 84.96 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.35 -50.36 60.21 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.18 0.514 . . . . 0.0 110.195 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.1 mtt -49.37 -41.51 39.39 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.161 -0.962 . . . . 0.0 109.454 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.73 -42.04 62.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.572 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.2 79.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.219 -0.925 . . . . 0.0 109.877 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' PHE . 10.3 mp -78.82 -44.88 22.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.819 -1.176 . . . . 0.0 110.123 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.89 -46.3 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.98 -1.075 . . . . 0.0 109.342 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.54 -50.95 69.31 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.7 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.416 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.2 m-85 -71.89 -43.15 65.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.089 -1.007 . . . . 0.0 109.855 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.85 -37.62 55.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.967 . . . . 0.0 110.582 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.8 -38.73 83.69 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.87 -1.144 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -87.72 -58.94 2.39 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.031 -1.043 . . . . 0.0 110.298 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 p -57.62 -25.01 59.5 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.975 -1.078 . . . . 0.0 108.657 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.25 3.2 58.06 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 ttt85 -64.06 -42.87 96.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.925 -1.338 . . . . 0.0 108.957 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.13 155.32 32.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.473 -0.767 . . . . 0.0 109.27 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.15 16.37 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -47.14 -80.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.305 -1.115 . . . . 0.0 109.376 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.7 tmtt? -179.06 -7.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.986 -1.071 . . . . 0.0 109.259 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.1 m-70 -152.99 46.84 0.7 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 110.553 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 11.0 ttmm -133.8 146.27 50.53 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD12 ' CG ' ' A' ' 73' ' ' PHE . 7.2 tt -87.05 126.69 34.92 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 110.235 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 27.6 mttp -108.39 149.17 29.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' GLU . 25.7 mttp -43.53 -48.38 7.44 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.998 -1.064 . . . . 0.0 109.6 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -48.45 -12.09 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 29' ' ' LYS . 48.3 mt-10 -99.57 -42.82 6.74 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.261 -0.899 . . . . 0.0 109.378 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.11 -51.67 65.63 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.221 -0.924 . . . . 0.0 108.996 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -66.0 -37.78 86.8 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.105 -0.997 . . . . 0.0 109.218 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -77.93 -33.73 51.6 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.58 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 49.6 tp -74.01 -33.06 63.65 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.306 -0.871 . . . . 0.0 108.825 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.4 mt -67.07 -37.53 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 2.5 t-20 -78.45 -22.25 47.9 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.722 -0.612 . . . . 0.0 111.443 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -94.03 -43.42 8.53 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.676 -1.265 . . . . 0.0 113.382 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' SER . 85.7 mt-10 -120.53 -51.12 2.18 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.796 -1.19 . . . . 0.0 110.354 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -79.0 21.22 0.44 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -79.58 -17.65 53.44 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -23.76 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -102.36 -55.33 2.49 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 131.1 36.9 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.47 150.39 22.73 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.997 -1.064 . . . . 0.0 108.745 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.66 99.32 0.78 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.103 -0.998 . . . . 0.0 108.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 pt -64.67 140.75 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.135 -0.978 . . . . 0.0 109.487 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -106.57 -15.12 14.86 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -122.41 136.23 54.85 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -70.47 -17.06 62.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.671 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -47.18 -36.3 8.53 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.979 -1.075 . . . . 0.0 111.048 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 52' ' ' VAL . 2.4 m -77.76 -37.7 24.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.622 -1.299 . . . . 0.0 107.531 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -65.13 -23.92 34.26 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 178.502 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -77.83 -35.68 50.98 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -52.97 10.76 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.9 p -54.03 -40.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.769 -1.207 . . . . 0.0 108.012 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.535 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 10.7 mmm -65.49 -31.21 72.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.21 -38.72 92.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.0 109.068 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.3 m -79.1 -30.84 44.05 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.451 -0.78 . . . . 0.0 109.484 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -91.08 -43.17 10.07 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.182 -0.949 . . . . 0.0 110.844 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.03 108.46 0.46 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.492 -1.38 . . . . 0.0 110.68 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -86.56 -43.15 12.93 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 31.4 p-10 -79.41 -2.05 40.01 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 43.67 84.7 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 107.767 -2.133 . . . . 0.0 107.767 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 30.6 p-10 -95.78 -5.42 41.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.629 -0.924 . . . . 0.0 109.983 -178.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.6 -1.38 37.26 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 107.942 -2.063 . . . . 0.0 107.942 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 65' ' ' ASP . 42.3 mt-10 -122.72 160.3 26.18 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 57.3 m -126.18 96.61 4.78 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.294 -0.879 . . . . 0.0 110.955 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -52.33 -170.33 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.632 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -77.99 -31.75 50.83 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.393 -1.442 . . . . 0.0 112.038 -178.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' C ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.67 -32.84 60.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.633 -1.292 . . . . 0.0 109.486 -178.394 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE2' ' SG ' ' A' ' 68' ' ' CYS . 27.3 tt0 -86.54 -40.51 15.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.108 -0.995 . . . . 0.0 108.539 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.53 ' CG ' HD12 ' A' ' 27' ' ' LEU . 2.1 t80 -54.97 -39.96 69.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.198 -0.939 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' B' ' 78' ' ' SER . 1.1 ttt -62.52 -44.33 96.63 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.65 -22.23 1.95 Allowed 'General case' 0 C--N 1.297 -1.706 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.587 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.4 -48.69 21.76 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.033 -1.042 . . . . 0.0 108.243 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.4 t -57.61 -38.44 64.26 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.16 -0.963 . . . . 0.0 109.226 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.75 -31.46 71.38 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.059 -1.026 . . . . 0.0 109.481 -179.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.72 -25.45 62.07 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.35 -36.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.63 -35.11 70.32 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 179.378 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 78' ' ' SER . 17.7 p -63.55 -39.33 94.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 110.314 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.26 84.67 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.685 -1.259 . . . . 0.0 108.668 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 32.1 t -61.4 -15.09 33.3 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 119.562 -0.855 . . . . 0.0 108.772 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -100.34 -34.96 9.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.494 -0.754 . . . . 0.0 109.251 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.35 -46.59 66.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.648 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.93 -41.73 91.0 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.237 -0.914 . . . . 0.0 109.155 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -55.56 -20.05 12.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 0.0 109.741 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -98.29 -16.53 19.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.085 -1.009 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.14 103.48 0.48 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.682 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.616 -179.825 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.519 ' O ' ' CB ' ' B' ' 1' ' ' SER . 19.6 mmt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' B' ' 0' ' ' MET . 0.7 OUTLIER 88.74 13.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -55.9 -29.07 59.44 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.446 HD23 ' OE1' ' A' ' 39' ' ' GLU . 1.5 mm? -71.3 -22.94 61.87 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -80.4 -28.14 37.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -44.34 85.0 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.5 -50.19 60.04 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.182 0.515 . . . . 0.0 110.268 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.3 mtt -49.19 -41.58 37.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 0.0 109.46 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.86 -42.24 60.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.481 -0.762 . . . . 0.0 109.451 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.2 79.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.213 -0.929 . . . . 0.0 109.902 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' B' ' 14' ' ' PHE . 10.2 mp -78.76 -44.97 22.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.875 -1.141 . . . . 0.0 110.12 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -43.81 -46.36 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.107 -0.996 . . . . 0.0 109.379 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.27 -51.15 68.87 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.305 -0.872 . . . . 0.0 109.96 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.2 -25.89 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.0 110.37 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.2 m-85 -71.8 -43.29 65.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.021 -1.05 . . . . 0.0 109.852 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -76.82 -37.49 55.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.1 -1.0 . . . . 0.0 110.5 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -67.74 -38.91 84.13 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.941 -1.099 . . . . 0.0 110.23 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -87.74 -58.89 2.41 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.996 -1.065 . . . . 0.0 110.257 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.3 p -57.6 -24.91 58.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.915 -1.116 . . . . 0.0 108.626 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.4 3.19 57.85 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -63.89 -42.88 97.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.92 -1.341 . . . . 0.0 108.971 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.14 155.63 32.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.403 -0.81 . . . . 0.0 109.277 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.66 -162.52 16.52 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.98 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -1.074 . . . . 0.0 109.482 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.54 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.9 tmtt? -179.12 -7.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.07 -1.019 . . . . 0.0 109.316 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.6 m-70 -153.2 46.88 0.68 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.93 -1.106 . . . . 0.0 110.507 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.465 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 10.8 ttmm -133.74 146.37 50.7 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' B' ' 73' ' ' PHE . 7.2 tt -87.09 126.65 34.9 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.29 -0.882 . . . . 0.0 110.139 -178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.458 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 28.3 mttp -108.25 149.32 28.76 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' B' ' 31' ' ' GLU . 26.8 mttp -43.93 -48.2 8.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.864 -1.148 . . . . 0.0 109.641 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -48.49 -12.06 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.292 -0.88 . . . . 0.0 109.359 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' B' ' 35' ' ' LEU . 47.9 mt-10 -99.55 -42.84 6.74 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.247 -0.908 . . . . 0.0 109.377 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.37 -51.27 66.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 108.991 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -66.27 -37.81 86.33 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.137 -0.977 . . . . 0.0 109.19 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -77.84 -33.74 52.18 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.528 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 31' ' ' GLU . 49.9 tp -74.04 -32.96 63.55 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.341 -0.849 . . . . 0.0 108.803 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -67.12 -37.66 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 2.5 t-20 -78.38 -22.2 48.23 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 111.242 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -94.0 -43.68 8.42 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.571 -1.33 . . . . 0.0 113.295 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' B' ' 41' ' ' SER . 85.3 mt-10 -120.49 -50.98 2.19 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.695 -1.253 . . . . 0.0 110.304 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -79.01 21.13 0.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.469 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -79.56 -17.64 53.51 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -23.94 21.86 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -102.2 -54.99 2.57 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 44' ' ' LEU . 4.5 mm? -91.48 131.1 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.56 150.2 23.56 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.075 -1.016 . . . . 0.0 108.755 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.25 99.2 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.975 -1.078 . . . . 0.0 108.976 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 pt -64.74 140.66 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.218 -0.926 . . . . 0.0 109.491 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -106.5 -15.12 14.88 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -122.35 136.16 54.85 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.46 -17.07 62.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.114 -0.991 . . . . 0.0 109.632 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -47.35 -36.08 9.02 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.911 -1.118 . . . . 0.0 111.028 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.405 HG22 ' H ' ' B' ' 52' ' ' VAL . 2.4 m -77.84 -37.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.455 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -65.04 -23.91 34.38 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -77.89 -35.63 50.55 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -52.76 11.36 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' B' ' 57' ' ' MET . 1.6 p -54.16 -40.19 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.881 -1.137 . . . . 0.0 107.932 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.52 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 11.5 mmm -65.53 -31.15 72.06 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.29 -38.45 91.07 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.176 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.0 m -79.35 -30.53 42.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.38 -0.825 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.3 mm? -91.25 -43.27 9.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.231 -0.918 . . . . 0.0 110.864 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' B' ' 57' ' ' MET . 7.2 m-20 -56.02 108.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.478 -1.389 . . . . 0.0 110.606 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -86.4 -43.08 13.12 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.1 p-10 -79.38 -2.16 40.42 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.38 43.61 84.88 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' B' ' 65' ' ' ASP . 30.9 p-10 -95.8 -5.4 41.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.708 -0.877 . . . . 0.0 110.095 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.37 -1.28 36.1 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 65' ' ' ASP . 41.9 mt-10 -122.67 160.06 26.61 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.52 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 56.0 m -126.05 96.49 4.75 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.239 -0.913 . . . . 0.0 111.04 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.2 OUTLIER -52.28 -170.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.616 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.3 OUTLIER -77.95 -31.54 50.99 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.452 -1.405 . . . . 0.0 112.002 -178.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' B' ' 71' ' ' GLN . 0.0 OUTLIER -75.91 -32.57 59.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.534 -1.354 . . . . 0.0 109.648 -178.453 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.442 ' OE2' ' SG ' ' B' ' 68' ' ' CYS . 27.6 tt0 -86.69 -40.56 14.96 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.608 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.537 ' CG ' HD12 ' B' ' 27' ' ' LEU . 2.2 t80 -55.02 -40.0 69.7 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.861 . . . . 0.0 109.223 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.51 ' SD ' ' CB ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -62.34 -44.51 96.32 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.33 -22.5 1.85 Allowed 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.585 -178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -75.41 -48.67 21.77 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.042 -1.036 . . . . 0.0 108.333 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' B' ' 81' ' ' THR . 21.7 t -57.64 -38.31 63.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.245 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.69 ' O ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -67.97 -31.29 70.91 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.153 -0.967 . . . . 0.0 109.517 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.3 ttp -71.7 -25.53 62.13 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -86.18 -36.43 10.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 77' ' ' VAL . 0.5 OUTLIER -71.78 -34.99 69.89 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.69 HG23 ' O ' ' B' ' 78' ' ' SER . 18.0 p -63.69 -39.32 94.03 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.388 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.34 84.44 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 120.75 -1.219 . . . . 0.0 108.669 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.28 -15.27 33.51 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.532 -0.867 . . . . 0.0 108.733 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -100.08 -35.0 9.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.551 -0.718 . . . . 0.0 109.207 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.45 -46.36 66.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.997 -1.065 . . . . 0.0 109.629 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -66.19 -41.6 90.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.358 -0.839 . . . . 0.0 109.218 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -55.53 -20.24 12.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.723 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -97.97 -16.79 19.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 109.698 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.02 103.51 0.47 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.036 -1.04 . . . . 0.0 108.725 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.549 -179.79 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.5 p -108.52 -175.07 2.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.331 -0.856 . . . . 0.0 110.102 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -50.93 -29.94 13.48 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' B' ' 13' ' ' VAL . 1.5 mm? -78.01 -27.12 48.87 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.131 -0.981 . . . . 0.0 109.836 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 4' ' ' GLU . 2.2 tm-20 -74.1 -30.72 62.48 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.594 -1.316 . . . . 0.0 109.021 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -71.09 -47.12 60.01 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.99 -53.64 56.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.55 -0.719 . . . . 0.0 110.115 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.9 mtt -55.48 -38.74 69.52 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.1 -1.0 . . . . 0.0 109.135 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.44 -53.19 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.028 -1.045 . . . . 0.0 108.657 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.58 -37.73 41.49 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.736 -0.602 . . . . 0.0 110.385 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 14' ' ' PHE . 9.7 mp -79.33 -45.32 19.86 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.778 -1.201 . . . . 0.0 110.61 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -44.39 -35.48 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.609 -1.307 . . . . 0.0 109.918 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.85 -50.77 12.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.671 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' B' ' 3' ' ' LEU . 46.9 t -73.76 -25.7 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.231 -0.918 . . . . 0.0 109.376 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 25' ' ' HIS . 1.9 t80 -66.69 -45.86 77.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.616 -0.677 . . . . 0.0 110.133 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -40.25 40.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.732 -1.23 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.95 -44.31 40.59 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.079 -1.013 . . . . 0.0 110.656 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -90.28 -57.73 2.74 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 9.2 t -48.77 -28.85 3.94 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.084 -1.01 . . . . 0.0 108.834 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.15 2.98 51.19 Favored Glycine 0 N--CA 1.497 2.714 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.42 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -63.44 -36.39 83.57 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.213 -1.757 . . . . 0.0 110.683 -179.089 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' OE1' ' CZ ' ' A' ' 20' ' ' ARG . 20.8 pt-20 -163.0 166.13 24.1 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.465 -1.397 . . . . 0.0 111.389 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 23' ' ' ASP . . . 74.67 -136.59 21.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLY . 17.4 m-20 -54.88 -113.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.841 -0.799 . . . . 0.0 109.942 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -171.99 -17.83 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.923 -1.11 . . . . 0.0 110.162 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 14' ' ' PHE . 3.8 t60 -133.79 33.3 3.47 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.769 -1.207 . . . . 0.0 111.366 -178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 18' ' ' SER . 28.0 mtmt -143.25 150.99 40.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.892 -1.13 . . . . 0.0 108.449 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 73' ' ' PHE . 2.1 mp -95.07 138.15 33.17 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.115 0.96 . . . . 0.0 110.077 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 41.8 mttm -108.15 156.77 18.93 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLU . 54.6 mttm -46.79 -47.44 20.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.988 -1.07 . . . . 0.0 109.674 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.92 -11.23 0.15 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.141 -0.975 . . . . 0.0 109.038 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' A' ' 28' ' ' LYS . 31.5 mt-10 -100.05 -35.88 9.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.387 -0.821 . . . . 0.0 108.959 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -60.75 2.74 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.1 -34.45 72.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.428 -0.795 . . . . 0.0 109.974 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -82.59 -38.73 23.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.23 -0.919 . . . . 0.0 110.437 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.5 tp -72.78 -32.11 65.35 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 HD12 ' A' ' 47' ' ' ILE . 64.7 mt -72.49 -41.05 64.17 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.597 -0.69 . . . . 0.0 109.345 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.6 m-20 -82.94 -24.75 32.9 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.263 -0.898 . . . . 0.0 111.1 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.33 -43.68 7.57 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.958 -1.089 . . . . 0.0 111.291 -177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.8 tp10 -98.99 -66.84 0.88 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.988 -1.07 . . . . 0.0 110.328 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 2.4 mt -76.55 39.3 0.21 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 108.826 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -87.34 -17.04 33.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.912 . . . . 0.0 110.041 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.5 p80 -99.85 -27.91 13.38 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.076 -1.015 . . . . 0.0 109.835 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.406 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.0 m-85 -98.76 -62.35 1.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 36' ' ' ILE . 37.7 tp -76.57 137.54 39.61 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.022 -1.048 . . . . 0.0 108.236 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -49.39 136.72 15.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.018 -1.051 . . . . 0.0 109.877 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.7 103.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.493 -0.754 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 36' ' ' ILE . 4.0 mt -74.38 128.64 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.395 -0.815 . . . . 0.0 108.936 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -114.26 -25.34 8.5 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.562 -0.712 . . . . 0.0 109.345 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -97.36 157.86 15.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.34 -0.85 . . . . 0.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -95.1 -29.55 14.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.303 -0.873 . . . . 0.0 109.787 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -52.44 -26.81 13.75 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.145 -0.972 . . . . 0.0 110.005 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.2 m -76.22 -38.92 34.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -65.54 -23.71 33.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 177.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.07 -35.94 56.23 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLU . 45.4 tttt -73.08 -57.66 3.87 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.24 -44.51 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -59.39 -38.42 80.49 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' LYS . 6.2 tp10 -64.29 -29.89 70.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 109.512 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 47.2 m -88.97 -27.75 20.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.455 -0.778 . . . . 0.0 110.026 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 75' ' ' ALA . 20.4 tp -105.2 -38.19 6.63 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.332 -0.855 . . . . 0.0 110.904 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' MET . 51.2 t0 -58.32 101.22 0.08 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.446 -1.409 . . . . 0.0 109.707 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.32 -31.01 16.25 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.37 -5.11 59.04 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 43.05 96.64 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 34.3 p-10 -103.93 -5.7 22.01 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.552 -0.97 . . . . 0.0 110.04 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.22 0.22 35.36 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 65' ' ' ASP . 80.2 mt-10 -127.5 164.86 20.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 69' ' ' ASP . 81.1 m -127.43 97.61 4.95 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.288 -0.883 . . . . 0.0 110.776 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -55.29 -163.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.715 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -74.3 -45.0 50.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.23 -1.544 . . . . 0.0 111.278 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -62.75 -29.61 70.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.88 -1.137 . . . . 0.0 110.324 -178.274 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 35.8 tt0 -92.5 -40.78 10.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.65 -1.281 . . . . 0.0 108.83 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 27' ' ' LEU . 6.2 t80 -55.26 -42.75 73.94 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.11 -0.994 . . . . 0.0 108.858 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -45.76 91.8 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.15 -17.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.683 -0.807 . . . . 0.0 109.41 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -75.14 -56.63 4.54 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.9 -1.125 . . . . 0.0 108.713 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.11 -33.68 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 108.642 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 8.3 t -62.72 -36.45 83.02 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.586 0.708 . . . . 0.0 109.449 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 ttp -72.72 -25.73 61.32 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.8 t -85.21 -38.03 12.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.4 m -67.84 -38.14 82.78 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 30.0 p -65.87 -40.2 91.4 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.81 -178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.76 -45.53 89.54 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.499 -1.375 . . . . 0.0 108.323 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.16 -10.07 37.68 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.37 -0.932 . . . . 0.0 108.493 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.427 ' HE2' ' CE1' ' B' ' 15' ' ' HIS . 3.4 t-160 -101.68 -42.57 6.15 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 90' ' ' HIS . 11.6 tp10 -69.55 -38.97 77.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.26 -58.3 9.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 109.569 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.5 -30.78 71.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.098 -1.002 . . . . 0.0 109.418 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -91.36 7.67 39.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.301 -0.874 . . . . 0.0 109.47 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 86' ' ' GLU . 20.4 t-160 -67.79 101.56 1.08 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.067 -1.021 . . . . 0.0 108.819 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.503 -179.795 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 17.0 p -108.85 -174.86 2.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.365 -0.835 . . . . 0.0 110.158 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -51.16 -29.62 14.31 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 13' ' ' VAL . 1.6 mm? -78.55 -27.02 45.79 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.352 -0.843 . . . . 0.0 109.662 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 4' ' ' GLU . 2.2 tm-20 -74.23 -30.9 62.38 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.703 -1.248 . . . . 0.0 108.955 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.98 -46.9 61.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.502 -0.749 . . . . 0.0 108.994 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.27 -53.04 62.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.449 -0.782 . . . . 0.0 110.189 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.104 -0.997 . . . . 0.0 109.175 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 t -68.32 -53.12 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.155 -0.965 . . . . 0.0 108.644 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.09 -37.52 46.25 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.673 -0.642 . . . . 0.0 110.45 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' B' ' 14' ' ' PHE . 9.7 mp -79.26 -45.33 19.97 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.673 -1.267 . . . . 0.0 110.535 -179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' B' ' 10' ' ' LEU . 2.9 mm -44.43 -35.43 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.583 -1.323 . . . . 0.0 109.967 -178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.72 -50.93 12.43 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.065 -1.022 . . . . 0.0 109.672 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.406 HG21 HD23 ' A' ' 3' ' ' LEU . 43.5 t -73.71 -25.67 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.216 -0.927 . . . . 0.0 109.529 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.562 ' CE2' ' CE1' ' B' ' 25' ' ' HIS . 1.9 t80 -66.71 -45.77 77.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.238 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.427 ' CE1' ' HE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -77.9 -40.22 40.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.71 -1.244 . . . . 0.0 110.31 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -48.98 -44.34 40.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.168 -0.957 . . . . 0.0 110.691 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.32 -57.62 2.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.113 -0.992 . . . . 0.0 109.455 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 9.3 t -48.84 -28.7 3.92 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.018 -1.051 . . . . 0.0 108.891 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.26 2.83 50.76 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.559 -0.713 . . . . 0.0 111.409 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' CZ ' ' OE1' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -63.46 -36.19 82.93 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.165 -1.785 . . . . 0.0 110.67 -178.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' B' ' 20' ' ' ARG . 20.6 pt-20 -163.11 166.18 23.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.523 -1.36 . . . . 0.0 111.267 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' B' ' 23' ' ' ASP . . . 74.57 -136.84 21.67 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLY . 17.2 m-20 -54.79 -113.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.854 -0.792 . . . . 0.0 110.084 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -172.09 -17.92 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.95 -1.094 . . . . 0.0 110.239 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' CE2' ' B' ' 14' ' ' PHE . 3.6 t60 -133.74 33.29 3.49 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.691 -1.256 . . . . 0.0 111.334 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.529 ' N ' ' OG ' ' B' ' 18' ' ' SER . 28.7 mtmt -143.21 150.77 39.81 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.88 -1.137 . . . . 0.0 108.447 178.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.2 mp -95.04 137.94 33.42 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.098 0.951 . . . . 0.0 110.049 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.515 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 41.7 mttm -108.18 156.65 19.09 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' C ' ' N ' ' B' ' 31' ' ' GLU . 55.3 mttm -46.64 -47.64 20.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.979 -1.076 . . . . 0.0 109.691 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 m -51.82 -11.16 0.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.182 -0.949 . . . . 0.0 109.025 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' B' ' 28' ' ' LYS . 32.3 mt-10 -99.96 -35.84 9.59 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.46 -0.775 . . . . 0.0 109.054 179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' B' ' 32' ' ' LEU . 1.0 OUTLIER -64.46 -60.97 2.53 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -59.31 -34.43 72.32 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.382 -0.824 . . . . 0.0 109.947 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -82.52 -38.84 23.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.214 -0.929 . . . . 0.0 110.372 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' B' ' 31' ' ' GLU . 14.2 tp -72.57 -32.59 66.14 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.561 HG21 HD12 ' B' ' 47' ' ' ILE . 62.5 mt -71.93 -41.46 68.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.608 -0.682 . . . . 0.0 109.423 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.454 ' O ' ' OG ' ' B' ' 41' ' ' SER . 15.8 m-20 -82.74 -24.79 33.37 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.331 -0.856 . . . . 0.0 111.15 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -96.19 -43.62 7.65 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.964 -1.085 . . . . 0.0 111.427 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.7 tp10 -99.19 -66.88 0.87 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.972 -1.08 . . . . 0.0 110.327 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 2.2 mt -76.27 39.31 0.19 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.909 . . . . 0.0 108.827 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -87.4 -17.37 32.43 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.0 110.014 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.5 p80 -99.43 -28.2 13.38 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.169 -0.957 . . . . 0.0 109.82 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.415 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.0 m-85 -98.46 -62.4 1.25 Allowed 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 tp -76.55 137.45 39.57 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.022 -1.049 . . . . 0.0 108.249 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -49.48 136.96 15.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.065 -1.022 . . . . 0.0 109.744 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.71 103.12 0.18 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.483 -0.76 . . . . 0.0 109.608 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.561 HD12 HG21 ' B' ' 36' ' ' ILE . 4.0 mt -74.31 128.78 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 108.883 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -114.51 -25.23 8.44 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.571 -0.706 . . . . 0.0 109.367 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.36 157.9 15.74 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.301 -0.875 . . . . 0.0 109.212 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.16 -29.46 14.53 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.197 -0.939 . . . . 0.0 109.747 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -52.53 -26.87 14.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.19 -0.943 . . . . 0.0 110.074 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.448 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.0 m -76.01 -38.89 36.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.448 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -65.43 -23.91 33.81 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -35.73 56.94 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' GLU . 45.8 tttt -73.22 -57.86 3.72 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.5 OUTLIER -45.2 -44.51 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -59.33 -38.53 80.57 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.016 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 55' ' ' LYS . 6.2 tp10 -64.16 -30.11 71.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 46.8 m -88.82 -27.52 21.02 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.613 -0.679 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' B' ' 75' ' ' ALA . 20.1 tp -105.17 -38.46 6.54 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -0.817 . . . . 0.0 110.938 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.8 t0 -57.97 101.29 0.07 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.445 -1.41 . . . . 0.0 109.622 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.47 -30.98 16.16 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -5.11 59.05 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.74 42.82 96.58 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.474 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 33.8 p-10 -103.97 -5.73 21.93 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.502 -0.999 . . . . 0.0 109.848 -179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.31 0.38 36.96 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.018 -2.033 . . . . 0.0 108.018 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 65' ' ' ASP . 80.0 mt-10 -127.64 164.96 20.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.514 ' O ' ' O ' ' B' ' 69' ' ' ASP . 83.5 m -127.53 97.52 4.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.261 -0.9 . . . . 0.0 110.779 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.2 OUTLIER -55.17 -163.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.697 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -74.6 -45.01 47.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.164 -1.585 . . . . 0.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -62.54 -29.67 70.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.938 -1.101 . . . . 0.0 110.4 -178.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 35.5 tt0 -92.5 -40.82 10.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.707 -1.246 . . . . 0.0 108.768 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' B' ' 27' ' ' LEU . 6.1 t80 -55.23 -42.61 73.61 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.102 -0.999 . . . . 0.0 108.921 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -45.69 92.34 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.04 -17.79 1.17 Allowed 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.463 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.91 -56.73 4.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.949 -1.095 . . . . 0.0 108.774 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.34 -33.32 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.774 ' O ' HG23 ' B' ' 82' ' ' THR . 8.5 t -63.28 -36.13 82.65 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.577 0.703 . . . . 0.0 109.38 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.3 ttp -72.79 -25.94 61.34 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -84.95 -38.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -67.96 -37.89 82.11 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.774 HG23 ' O ' ' B' ' 78' ' ' SER . 32.2 p -66.08 -40.14 90.59 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 119.263 -0.975 . . . . 0.0 111.027 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.34 90.12 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.584 -1.323 . . . . 0.0 108.267 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 57.3 m -66.2 -10.1 38.4 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -101.71 -42.54 6.15 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' B' ' 90' ' ' HIS . 11.6 tp10 -69.64 -39.03 77.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.307 -0.871 . . . . 0.0 109.934 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -58.12 -58.43 8.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.242 -0.911 . . . . 0.0 109.66 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -63.26 -31.23 72.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.114 -0.991 . . . . 0.0 109.417 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.79 7.29 40.48 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.329 -0.857 . . . . 0.0 109.541 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' B' ' 86' ' ' GLU . 20.4 t-160 -67.56 101.48 1.01 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.05 . . . . 0.0 108.887 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 117.955 -1.022 . . . . 0.0 109.444 -179.885 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.4 t -93.43 78.85 4.39 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.264 -0.897 . . . . 0.0 109.974 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' B' ' 12' ' ' ASP . 31.6 mt-10 -53.2 -29.96 34.98 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -25.02 61.31 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.63 -0.669 . . . . 0.0 110.797 -179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -65.52 -50.61 64.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.726 -1.234 . . . . 0.0 108.715 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.747 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -52.91 -45.14 67.46 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.65 -56.17 23.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.826 -0.546 . . . . 0.0 111.643 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.2 ptp -66.41 -28.42 68.61 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.749 -1.219 . . . . 0.0 109.33 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.9 -55.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.133 -0.98 . . . . 0.0 108.778 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.27 -32.69 17.47 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.617 -0.677 . . . . 0.0 110.112 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' PHE . 3.5 mt -77.28 -42.93 35.09 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.861 -1.149 . . . . 0.0 110.237 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mt -47.24 -35.14 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 109.201 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' B' ' 2' ' ' GLU . 24.8 t70 -71.64 -50.9 26.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.93 -25.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.652 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' CD1' ' OG ' ' A' ' 18' ' ' SER . 10.5 t80 -73.49 -47.76 38.65 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.387 -0.821 . . . . 0.0 109.763 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -30.44 61.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.094 -1.003 . . . . 0.0 109.889 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -67.49 -40.59 85.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.041 -1.037 . . . . 0.0 110.338 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -88.81 -57.69 2.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.037 -1.039 . . . . 0.0 108.636 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.511 ' OG ' ' CD1' ' A' ' 14' ' ' PHE . 2.6 m -53.37 -20.38 4.43 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.8 -3.03 56.18 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -61.19 -43.83 98.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.412 . . . . 0.0 108.477 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -162.97 171.25 16.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.464 -0.773 . . . . 0.0 109.592 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.16 -167.31 23.75 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.08 -68.03 0.23 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.2 -1.176 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.37 -41.05 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.306 -0.871 . . . . 0.0 109.653 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -133.33 64.8 1.6 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.089 -1.007 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -144.07 149.42 36.57 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mp -97.59 129.28 44.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.996 -1.065 . . . . 0.0 111.039 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mtmp? -107.9 157.92 17.78 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.8 ttpt -45.53 -47.62 14.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.998 -1.064 . . . . 0.0 109.351 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 m -48.62 -15.14 0.08 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.26 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LYS . 29.5 mt-10 -99.19 -42.88 6.85 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.211 -0.931 . . . . 0.0 108.847 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -60.92 -51.23 70.14 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.146 -0.971 . . . . 0.0 109.428 -179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.89 -36.29 81.96 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.083 -1.011 . . . . 0.0 109.635 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.41 -30.8 42.55 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.064 -1.023 . . . . 0.0 109.761 -179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' GLU . 27.3 tp -71.7 -34.22 69.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.402 -0.811 . . . . 0.0 110.116 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 pt -78.7 -33.3 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.733 -1.23 . . . . 0.0 109.542 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -79.02 -22.61 45.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.382 -0.824 . . . . 0.0 109.818 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -97.95 -42.8 7.36 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.244 -0.91 . . . . 0.0 111.829 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' SER . 10.0 mm-40 -105.92 -67.63 0.92 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.954 -1.091 . . . . 0.0 110.535 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -74.0 35.5 0.09 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.16 -0.962 . . . . 0.0 109.499 -179.129 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -87.03 -20.84 26.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.119 -0.988 . . . . 0.0 109.899 179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.66 -22.37 34.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 109.11 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.11 -45.12 3.08 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 135.63 33.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -69.37 142.37 53.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.247 -0.908 . . . . 0.0 109.362 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 111.08 6.68 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.89 129.04 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.095 -1.003 . . . . 0.0 110.252 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.62 -8.26 44.68 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -123.49 133.04 54.08 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' NE2' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -73.98 -13.69 60.91 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.215 -0.928 . . . . 0.0 108.963 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -39.15 -48.99 1.8 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.611 -0.68 . . . . 0.0 112.178 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.0 m -71.33 -35.45 57.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 C-N-CA 118.286 -1.366 . . . . 0.0 107.868 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -66.68 -23.94 32.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.838 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 179.037 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.501 ' OD2' ' NE2' ' A' ' 50' ' ' GLN . 97.3 m-20 -79.14 -35.83 41.45 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.38 -47.44 19.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.7 OUTLIER -53.45 -43.36 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -50.48 -38.63 45.02 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -62.83 -29.34 70.66 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' VAL . 28.0 m -87.58 -28.4 21.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.474 -0.766 . . . . 0.0 109.527 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.37 -49.17 4.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.303 -0.873 . . . . 0.0 110.457 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 57' ' ' MET . 44.7 t0 -55.93 104.2 0.13 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.616 -1.302 . . . . 0.0 109.823 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.81 -40.56 11.72 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 3.4 p30 -80.5 -4.96 55.85 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.49 46.65 75.58 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 108.609 -1.796 . . . . 0.0 108.609 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 15.4 p30 -100.51 -5.32 27.12 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.372 -1.075 . . . . 0.0 110.041 -178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.52 -3.21 26.26 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.062 -2.015 . . . . 0.0 108.062 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 65' ' ' ASP . 36.3 mt-10 -117.77 170.1 9.06 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -122.65 88.85 3.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.465 -0.772 . . . . 0.0 109.617 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 68' ' ' CYS . 1.5 m-20 -52.31 -175.56 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.136 -0.978 . . . . 0.0 108.611 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.7 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.2 p90 -73.15 -28.69 62.38 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.689 -1.257 . . . . 0.0 111.108 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -69.88 -47.29 63.12 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.31 -0.869 . . . . 0.0 111.853 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 3.4 pt-20 -87.0 -30.07 21.52 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.536 -1.353 . . . . 0.0 108.531 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 76' ' ' PHE . 2.0 t80 -52.69 -46.77 67.42 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.792 -1.192 . . . . 0.0 108.265 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -43.29 95.07 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -53.26 -19.35 3.1 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 30.3 t80 -72.89 -53.63 10.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.78 -1.2 . . . . 0.0 107.905 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.1 t -58.28 -32.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 82' ' ' THR . 21.9 p -59.25 -38.42 80.03 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.705 0.764 . . . . 0.0 109.285 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 17.8 ttm -72.12 -27.57 62.71 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.34 -39.99 19.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.5 m -66.59 -36.6 83.01 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' B' ' 70' ' ' PHE . 26.9 p -67.25 -38.96 86.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.93 -1.106 . . . . 0.0 111.271 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.92 78.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.459 -1.401 . . . . 0.0 109.019 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 18.1 t -61.23 -11.07 8.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.289 -0.882 . . . . 0.0 108.707 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -105.95 -35.14 7.39 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -75.21 -45.83 37.86 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.143 -0.973 . . . . 0.0 109.29 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.18 -27.86 67.62 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 84' ' ' CYS . 3.1 m-85 -68.03 -45.37 74.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.29 -0.881 . . . . 0.0 109.174 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -67.45 -102.26 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.15 -0.969 . . . . 0.0 108.596 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.38 98.97 2.33 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 108.69 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.695 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 28.4 t -93.48 79.06 4.36 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.323 -0.861 . . . . 0.0 109.953 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 32.5 mt-10 -53.42 -29.98 37.97 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -24.96 61.35 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.647 -0.658 . . . . 0.0 110.796 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -65.65 -50.18 65.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.851 -1.156 . . . . 0.0 108.738 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.749 ' CD ' ' H ' ' B' ' 5' ' ' LYS . 0.3 OUTLIER -53.32 -44.99 68.84 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.22 22.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.777 -0.577 . . . . 0.0 111.597 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 19.9 ptp -66.46 -28.29 68.47 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.78 -1.2 . . . . 0.0 109.329 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 t -75.89 -55.29 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.017 -1.052 . . . . 0.0 108.811 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.06 -32.85 16.56 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.59 -0.694 . . . . 0.0 110.126 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' B' ' 14' ' ' PHE . 3.4 mt -77.29 -42.82 35.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.809 -1.182 . . . . 0.0 110.292 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mt -47.38 -35.05 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 120.756 -1.215 . . . . 0.0 109.105 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.426 ' OD2' ' OE2' ' A' ' 2' ' ' GLU . 25.0 t70 -71.64 -51.22 24.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.138 -0.976 . . . . 0.0 109.718 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -76.67 -26.04 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' B' ' 10' ' ' LEU . 10.8 t80 -73.42 -47.97 37.52 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.309 -0.869 . . . . 0.0 109.798 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -30.34 61.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -179.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -67.62 -40.46 84.66 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.068 -1.02 . . . . 0.0 110.335 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -89.04 -57.38 2.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.996 -1.065 . . . . 0.0 108.635 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.499 ' OG ' ' CD1' ' B' ' 14' ' ' PHE . 2.6 m -53.52 -20.39 4.88 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.87 -2.99 56.12 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.4 ttm-85 -61.07 -43.82 98.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.843 -1.386 . . . . 0.0 108.538 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -162.91 171.01 17.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.456 -0.778 . . . . 0.0 109.634 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.21 -167.46 23.78 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -46.86 -68.23 0.21 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.193 -1.181 . . . . 0.0 109.009 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -40.97 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.658 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -133.31 64.52 1.61 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.06 -1.025 . . . . 0.0 110.773 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -143.72 149.26 36.9 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' B' ' 73' ' ' PHE . 4.3 mp -97.45 129.28 44.67 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 122.299 1.047 . . . . 0.0 111.049 -179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' B' ' 29' ' ' LYS . 2.5 mtmp? -107.96 157.78 17.92 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 31' ' ' GLU . 15.5 ttpt -45.23 -47.86 12.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.894 -1.129 . . . . 0.0 109.381 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -48.46 -15.16 0.07 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.244 -0.91 . . . . 0.0 109.227 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 31.5 mt-10 -99.2 -42.7 6.93 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.273 -0.892 . . . . 0.0 108.804 179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.431 HD13 HG22 ' B' ' 53' ' ' VAL . 0.9 OUTLIER -61.02 -51.35 69.6 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.163 -0.961 . . . . 0.0 109.425 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -66.99 -36.26 81.77 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.996 -1.065 . . . . 0.0 109.66 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -79.35 -30.82 42.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.047 -1.033 . . . . 0.0 109.677 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.6 tp -72.01 -33.91 68.43 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.316 -0.865 . . . . 0.0 110.105 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.404 ' H ' HG12 ' B' ' 36' ' ' ILE . 3.9 pt -78.74 -33.36 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.696 -1.252 . . . . 0.0 109.545 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -78.94 -22.45 45.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.839 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -98.08 -42.96 7.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.175 -0.953 . . . . 0.0 111.822 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.8 mm-40 -105.89 -67.81 0.91 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.919 -1.113 . . . . 0.0 110.514 -178.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -73.63 35.44 0.09 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.042 -1.037 . . . . 0.0 109.531 -179.264 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.0 OUTLIER -87.04 -20.93 26.46 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.041 -1.037 . . . . 0.0 109.827 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.48 -22.33 35.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.062 -1.024 . . . . 0.0 109.254 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -114.23 -45.11 3.06 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.45 135.42 33.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -69.07 142.31 54.53 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.372 -0.83 . . . . 0.0 109.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.49 ' N ' ' CD ' ' B' ' 46' ' ' GLU . 0.6 OUTLIER -71.69 110.94 6.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.195 -0.94 . . . . 0.0 108.521 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.422 ' H ' HG23 ' B' ' 47' ' ' ILE . 1.5 pt -75.77 128.92 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.97 . . . . 0.0 110.353 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -92.65 -8.15 44.9 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -123.49 132.92 54.06 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.505 ' NE2' ' OD2' ' B' ' 54' ' ' ASP . 0.0 OUTLIER -73.91 -13.57 60.92 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 108.938 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -39.06 -48.91 1.71 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.557 -0.714 . . . . 0.0 112.098 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.8 m -71.54 -35.37 56.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 O-C-N 120.484 -1.385 . . . . 0.0 107.996 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.5 OUTLIER -66.65 -23.98 32.16 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.505 ' OD2' ' NE2' ' B' ' 50' ' ' GLN . 97.7 m-20 -79.08 -35.98 41.54 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -77.33 -47.66 19.4 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.7 OUTLIER -53.15 -43.31 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' ASP . 0.0 OUTLIER -50.61 -38.47 45.92 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -63.0 -29.35 70.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 56' ' ' VAL . 29.8 m -87.57 -28.6 21.84 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.438 -0.789 . . . . 0.0 109.61 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.23 -48.99 4.63 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.26 -0.9 . . . . 0.0 110.467 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.519 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 44.7 t0 -55.9 104.14 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.661 -1.274 . . . . 0.0 109.86 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -90.76 -40.57 11.74 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 3.3 p30 -80.63 -4.67 55.05 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.23 46.59 78.31 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.548 -1.821 . . . . 0.0 108.548 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.519 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 14.9 p30 -100.46 -5.28 27.31 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.248 -1.148 . . . . 0.0 110.025 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.21 -2.86 25.49 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 108.086 -2.006 . . . . 0.0 108.086 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' B' ' 65' ' ' ASP . 37.1 mt-10 -117.88 169.94 9.22 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' B' ' 69' ' ' ASP . 96.2 m -122.53 89.07 3.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.393 -0.817 . . . . 0.0 109.664 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' B' ' 68' ' ' CYS . 1.4 m-20 -52.44 -175.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.9 . . . . 0.0 108.579 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.1 p90 -73.18 -28.47 62.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.807 -1.183 . . . . 0.0 111.132 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -70.15 -47.17 62.78 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.886 . . . . 0.0 111.833 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 3.4 pt-20 -86.98 -30.16 21.47 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.557 -1.34 . . . . 0.0 108.56 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' B' ' 27' ' ' LEU . 2.0 t80 -52.57 -46.7 66.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 108.17 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -43.25 95.44 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -53.38 -19.31 3.3 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 30.3 t80 -72.81 -53.57 11.16 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.835 -1.166 . . . . 0.0 107.914 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.31 -32.85 45.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.68 ' O ' HG23 ' B' ' 82' ' ' THR . 22.1 p -59.44 -38.18 80.05 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.585 0.707 . . . . 0.0 109.249 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 16.9 ttm -71.98 -27.85 63.03 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 39.2 t -80.27 -39.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 70.9 m -66.84 -36.56 82.63 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.7 HG21 ' CD1' ' A' ' 70' ' ' PHE . 27.0 p -67.28 -39.18 86.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.995 -1.066 . . . . 0.0 111.221 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.03 78.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.562 -1.336 . . . . 0.0 109.058 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 18.9 t -61.29 -10.79 7.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.772 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.05 -35.03 7.38 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -75.36 -46.0 35.82 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.227 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -67.01 -27.85 67.76 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.382 -0.824 . . . . 0.0 109.095 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 84' ' ' CYS . 3.0 m-85 -67.95 -45.57 73.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 0.0 109.124 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.3 -102.16 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.351 -0.939 . . . . 0.0 108.726 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -72.62 99.18 2.49 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.624 -179.678 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' A' ' 1' ' ' SER . 27.1 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.516 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.3 t 83.12 2.28 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -53.25 -30.25 37.17 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD11 HG11 ' B' ' 77' ' ' VAL . 21.2 tp -75.82 -24.98 55.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 1' ' ' SER . 17.5 tp10 -70.96 -37.14 72.78 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -40.67 96.02 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.7 -57.38 11.2 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.802 -0.562 . . . . 0.0 111.012 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -34.45 63.59 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.952 -1.093 . . . . 0.0 108.874 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.66 -56.48 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 120.973 -1.079 . . . . 0.0 108.621 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.62 59.26 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.43 0.634 . . . . 0.0 109.713 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -45.35 36.76 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.323 -0.86 . . . . 0.0 110.181 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.9 mt -46.0 -34.97 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.901 -1.124 . . . . 0.0 108.999 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.95 -52.28 15.16 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.857 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.47 -26.71 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.046 -1.034 . . . . 0.0 109.112 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -71.31 -52.45 18.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.004 -1.06 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.51 -32.85 68.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 0.0 110.721 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 16' ' ' GLN . 3.8 tp-100 -67.24 -43.34 82.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.632 -1.292 . . . . 0.0 110.28 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 45.6 m-85 -86.67 -57.2 3.08 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.762 -1.211 . . . . 0.0 109.023 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -56.34 -29.86 61.88 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.236 -0.915 . . . . 0.0 108.948 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.2 1.72 77.51 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -70.38 -46.64 63.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.919 -1.342 . . . . 0.0 108.812 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.64 170.55 15.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.488 -0.757 . . . . 0.0 109.928 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.76 -170.48 38.28 Favored Glycine 0 N--CA 1.495 2.579 0 N-CA-C 109.749 -1.341 . . . . 0.0 109.749 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -48.72 -64.04 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -1.146 . . . . 0.0 108.766 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 5.8 tmtp? -178.19 -4.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' A' ' 24' ' ' LYS . 19.6 m-70 -153.51 50.3 0.69 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.066 -1.021 . . . . 0.0 110.761 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -133.02 145.74 51.11 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -94.41 125.67 39.2 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.387 -0.82 . . . . 0.0 111.038 -178.453 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -110.35 157.54 19.4 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -48.8 -44.14 38.81 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.773 -1.204 . . . . 0.0 109.447 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 m -51.61 -18.31 1.12 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.149 -0.97 . . . . 0.0 108.932 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 35' ' ' LEU . 61.2 mt-10 -100.99 -38.57 8.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.625 -0.672 . . . . 0.0 109.345 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -44.56 76.06 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.348 -0.941 . . . . 0.0 109.05 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.94 -36.24 69.85 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 108.543 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 37.2 tt0 -79.97 -32.73 39.83 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.543 -0.723 . . . . 0.0 109.95 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 31' ' ' GLU . 30.4 tp -71.6 -34.75 70.13 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.9 mt -70.01 -38.35 75.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -81.21 -23.31 38.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.377 -0.827 . . . . 0.0 111.492 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.707 ' N ' HD22 ' A' ' 38' ' ' ASN . 0.7 OUTLIER -91.36 -44.0 9.43 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.659 -1.276 . . . . 0.0 111.896 -177.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' B' ' 1' ' ' SER . 6.8 mm-40 -106.57 -57.74 2.02 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 3' ' ' LEU . 2.4 mt -81.09 34.93 0.37 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.316 -0.865 . . . . 0.0 109.148 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -20.18 29.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.945 -1.097 . . . . 0.0 109.532 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.72 -22.99 19.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.197 -0.939 . . . . 0.0 109.842 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CD1' ' CD ' ' B' ' 4' ' ' GLU . 41.1 m-85 -106.79 -51.8 2.87 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.466 -0.771 . . . . 0.0 109.71 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 44' ' ' LEU . 4.2 mm? -89.57 134.38 34.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.048 -1.032 . . . . 0.0 108.803 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.629 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.9 pm0 -54.02 135.26 43.2 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.757 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 100.64 0.52 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.86 . . . . 0.0 109.136 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.8 pt -67.8 131.93 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.081 -1.012 . . . . 0.0 109.681 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -102.81 -15.06 16.36 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 mp0 -117.4 139.93 50.24 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -75.37 -16.6 60.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.119 -0.988 . . . . 0.0 109.856 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -43.33 -41.13 3.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.095 -1.003 . . . . 0.0 111.309 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.3 m -77.05 -37.94 27.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 O-C-N 120.71 -1.244 . . . . 0.0 107.864 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 57' ' ' MET . 0.4 OUTLIER -62.1 -24.16 33.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -78.94 -35.94 42.51 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -72.41 -52.65 15.03 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.187 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 57' ' ' MET . 4.9 p -56.2 -41.57 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.006 -1.059 . . . . 0.0 108.442 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 17.3 mmm -63.5 -31.25 72.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.432 -0.792 . . . . 0.0 109.098 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.78 -32.16 73.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.436 -0.79 . . . . 0.0 109.535 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.7 m -88.09 -36.07 17.13 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.262 -0.899 . . . . 0.0 110.076 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.76 -46.96 13.51 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.083 -1.011 . . . . 0.0 110.484 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 43.7 t0 -55.75 108.92 0.49 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.406 -1.433 . . . . 0.0 109.97 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -90.55 -45.68 8.78 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 16.2 p-10 -75.72 -1.55 25.43 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.51 44.49 85.59 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.279 -1.929 . . . . 0.0 108.279 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 52.4 p-10 -97.14 -3.57 40.85 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.376 -1.073 . . . . 0.0 109.76 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.73 0.42 68.32 Favored Glycine 0 N--CA 1.487 2.091 0 N-CA-C 107.896 -2.082 . . . . 0.0 107.896 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -126.29 170.69 11.63 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 4.7 m -124.65 97.16 5.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.608 -0.683 . . . . 0.0 111.138 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 68' ' ' CYS . 41.7 t0 -53.82 -172.72 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.683 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -78.32 -29.76 47.88 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.542 -1.349 . . . . 0.0 111.74 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -73.38 -37.59 65.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.749 -1.219 . . . . 0.0 111.131 -177.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 3.8 pt-20 -91.71 -34.39 14.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.509 -1.369 . . . . 0.0 108.909 179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.6 t80 -52.56 -46.57 66.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.63 -1.294 . . . . 0.0 108.155 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.43 -21.89 2.65 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.605 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.34 -50.37 27.27 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.657 -1.277 . . . . 0.0 108.131 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.585 HG11 HD11 ' B' ' 3' ' ' LEU . 25.3 t -54.31 -36.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.776 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 82' ' ' THR . 90.0 p -71.92 -28.36 63.43 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.572 -0.705 . . . . 0.0 109.55 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 ttt -73.35 -33.29 65.02 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -87.56 -30.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 45.9 m -69.28 -38.43 78.35 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 78' ' ' SER . 7.1 p -61.13 -39.1 88.77 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.368 -0.832 . . . . 0.0 109.92 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.63 84.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.746 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 34.9 m -73.89 -21.72 59.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.405 -0.81 . . . . 0.0 109.505 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -89.59 -37.95 14.3 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.309 -0.869 . . . . 0.0 109.332 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -74.42 -35.53 63.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.142 -0.974 . . . . 0.0 109.375 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' O ' ' ND1' ' A' ' 90' ' ' HIS . 81.1 t80 -60.42 -50.14 74.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 109.421 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -70.91 -34.64 71.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -97.83 35.18 1.74 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.125 -0.984 . . . . 0.0 109.589 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.546 ' H ' ' HD1' ' A' ' 90' ' ' HIS . 31.0 p-80 -69.1 100.47 1.26 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.17 -0.956 . . . . 0.0 108.965 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.601 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' B' ' 1' ' ' SER . 27.0 ttt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 39' ' ' GLU . 1.3 t 83.26 2.15 1.03 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -53.13 -30.36 36.39 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.585 HD11 HG11 ' A' ' 77' ' ' VAL . 20.7 tp -75.73 -25.11 56.31 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' B' ' 1' ' ' SER . 17.7 tp10 -70.93 -37.09 72.88 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -40.83 96.3 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.05 -56.81 13.76 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.741 -0.6 . . . . 0.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.12 -34.09 63.43 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.893 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 t -69.83 -56.19 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.124 -0.985 . . . . 0.0 108.574 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -30.39 60.37 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.703 -0.623 . . . . 0.0 109.671 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -75.9 -45.2 36.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.331 -0.856 . . . . 0.0 110.208 -179.529 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.09 -34.9 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.978 -1.076 . . . . 0.0 108.983 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.1 -52.11 15.51 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.45 -26.82 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.076 -1.015 . . . . 0.0 109.24 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' B' ' 10' ' ' LEU . 8.4 t80 -71.59 -52.08 19.96 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 119.064 -1.055 . . . . 0.0 109.769 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -71.66 -32.75 68.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' B' ' 16' ' ' GLN . 3.8 tp-100 -67.39 -43.27 81.77 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.525 -1.36 . . . . 0.0 110.273 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 45.6 m-85 -86.77 -57.27 3.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 120.758 -1.214 . . . . 0.0 109.069 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 11.1 p -56.12 -30.1 61.61 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.087 -1.008 . . . . 0.0 108.927 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.89 1.41 78.01 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -70.2 -46.54 64.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.856 -1.379 . . . . 0.0 108.815 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -136.89 170.59 15.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.48 -0.763 . . . . 0.0 109.955 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.7 -170.46 38.37 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.56 -64.04 0.91 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -1.203 . . . . 0.0 108.782 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.546 ' O ' ' ND1' ' B' ' 25' ' ' HIS . 5.7 tmtp? -178.23 -4.8 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.546 ' ND1' ' O ' ' B' ' 24' ' ' LYS . 19.5 m-70 -153.43 50.46 0.7 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 110.643 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -132.97 145.79 51.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -94.57 125.49 39.25 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.3 -0.875 . . . . 0.0 111.015 -178.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -110.24 157.41 19.48 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' B' ' 31' ' ' GLU . 43.7 mtmt -48.69 -44.06 37.65 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.91 -1.119 . . . . 0.0 109.541 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 32.9 m -51.75 -18.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.14 -0.975 . . . . 0.0 108.921 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 35' ' ' LEU . 60.9 mt-10 -100.96 -38.48 8.19 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -44.53 75.73 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.137 -0.977 . . . . 0.0 109.107 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -71.96 -36.32 69.82 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.173 -0.954 . . . . 0.0 108.579 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.47 ' O ' ' ND2' ' B' ' 38' ' ' ASN . 37.2 tt0 -79.96 -32.98 39.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.583 -0.698 . . . . 0.0 109.876 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' B' ' 31' ' ' GLU . 28.3 tp -71.22 -34.98 71.33 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.082 -1.012 . . . . 0.0 108.553 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.97 -38.18 74.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -81.15 -23.52 38.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.467 -0.771 . . . . 0.0 111.509 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.699 ' N ' HD22 ' B' ' 38' ' ' ASN . 0.7 OUTLIER -91.21 -44.0 9.5 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.603 -1.311 . . . . 0.0 111.948 -177.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' A' ' 1' ' ' SER . 6.8 mm-40 -106.72 -57.89 2.0 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.032 -1.042 . . . . 0.0 110.174 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 3' ' ' LEU . 2.6 mt -80.53 34.74 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.393 -0.817 . . . . 0.0 109.071 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 -20.02 29.97 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 109.489 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.82 -23.03 18.97 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.243 -0.911 . . . . 0.0 109.822 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 4' ' ' GLU . 41.1 m-85 -106.77 -51.27 2.96 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.344 -0.848 . . . . 0.0 109.722 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.405 ' N ' HD22 ' B' ' 44' ' ' LEU . 4.2 mm? -90.32 134.18 34.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.971 -1.081 . . . . 0.0 108.779 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 1.9 pm0 -53.63 135.34 40.8 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.267 -0.895 . . . . 0.0 109.85 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.54 100.9 0.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.35 -0.844 . . . . 0.0 109.145 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 pt -68.01 131.75 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.076 -1.015 . . . . 0.0 109.576 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -102.79 -15.01 16.38 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' B' ' 49' ' ' GLU . 7.2 mp0 -117.47 139.97 50.22 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -75.64 -16.49 60.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.188 -0.945 . . . . 0.0 109.785 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -43.45 -40.85 4.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 0.0 111.337 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -77.07 -38.15 27.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 O-C-N 120.639 -1.288 . . . . 0.0 107.818 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.433 ' O ' ' CG ' ' B' ' 57' ' ' MET . 0.4 OUTLIER -62.08 -24.21 33.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 106.87 -1.529 . . . . 0.0 106.87 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -78.63 -36.18 44.42 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -72.1 -52.62 15.91 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' B' ' 57' ' ' MET . 4.7 p -56.54 -41.13 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.954 -1.091 . . . . 0.0 108.432 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.553 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 17.5 mmm -63.77 -31.09 72.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.387 -0.821 . . . . 0.0 109.088 179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.82 -32.37 74.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.851 . . . . 0.0 109.587 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.1 m -87.88 -36.16 17.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.345 -0.847 . . . . 0.0 110.088 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.78 -46.98 13.45 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.105 -0.997 . . . . 0.0 110.472 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 43.4 t0 -55.66 108.98 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.346 -1.471 . . . . 0.0 109.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -90.52 -45.81 8.72 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 16.7 p-10 -75.58 -1.47 24.62 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 55.35 44.47 84.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.471 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 52.7 p-10 -97.1 -3.65 40.84 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.392 -1.063 . . . . 0.0 109.7 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.96 0.29 68.95 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 107.995 -2.042 . . . . 0.0 107.995 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -126.38 170.96 11.4 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.553 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 4.4 m -124.9 96.96 5.07 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.648 -0.657 . . . . 0.0 111.252 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' B' ' 68' ' ' CYS . 41.7 t0 -53.67 -172.75 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.671 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -78.13 -29.97 49.1 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.486 -1.384 . . . . 0.0 111.692 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -73.11 -37.86 66.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.807 -1.183 . . . . 0.0 111.204 -177.593 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.499 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 3.7 pt-20 -91.61 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.516 -1.365 . . . . 0.0 109.001 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.563 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -52.43 -46.61 66.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.588 -1.32 . . . . 0.0 108.165 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -44.09 91.7 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.49 -21.82 2.7 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.55 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -72.27 -50.28 28.37 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.586 -1.322 . . . . 0.0 108.063 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 3' ' ' LEU . 26.0 t -54.38 -36.57 34.47 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 97.8 p -71.91 -28.32 63.42 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.56 0.695 . . . . 0.0 109.666 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.3 ttt -73.15 -33.51 65.53 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 109.81 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -87.4 -31.08 5.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m -69.2 -38.27 78.52 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 6.9 p -61.17 -39.54 90.53 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.368 -0.833 . . . . 0.0 109.902 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.71 84.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.017 -1.052 . . . . 0.0 108.807 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.91 -21.82 59.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.442 -0.786 . . . . 0.0 109.575 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -89.42 -37.94 14.44 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.171 -0.956 . . . . 0.0 109.341 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -74.4 -35.48 63.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.118 -0.989 . . . . 0.0 109.397 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.49 ' O ' ' ND1' ' B' ' 90' ' ' HIS . 81.6 t80 -60.67 -50.12 74.78 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.365 -0.834 . . . . 0.0 109.375 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -70.87 -34.58 71.77 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.383 -0.823 . . . . 0.0 109.919 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -97.74 34.94 1.76 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.136 -0.978 . . . . 0.0 109.609 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.564 ' HD1' ' H ' ' B' ' 90' ' ' HIS . 30.0 p-80 -69.0 100.48 1.22 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.088 -1.008 . . . . 0.0 109.092 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.589 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 1' ' ' SER . 27.9 ttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.334 0.588 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 0' ' ' MET . 0.4 OUTLIER 74.37 -151.92 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.218 -0.926 . . . . 0.0 110.634 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -46.82 -23.85 0.49 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.715 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.721 ' N ' HD22 ' A' ' 3' ' ' LEU . 2.6 mm? -81.19 -25.72 36.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.095 -1.003 . . . . 0.0 109.422 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.3 tt0 -76.37 -22.67 54.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.923 -1.111 . . . . 0.0 108.32 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -77.39 -52.05 9.79 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -54.28 35.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.268 -0.895 . . . . 0.0 110.346 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.1 mtt -55.27 -37.57 67.46 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.096 -1.002 . . . . 0.0 109.776 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 4' ' ' GLU . 72.1 t -77.5 -46.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.986 -1.071 . . . . 0.0 109.158 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -32.76 71.45 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.396 -0.815 . . . . 0.0 109.454 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.66 -48.1 14.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.009 -1.057 . . . . 0.0 110.785 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.7 mt -45.61 -30.9 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.973 -1.08 . . . . 0.0 109.426 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -75.21 -47.63 27.32 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.214 -0.929 . . . . 0.0 108.799 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 t -76.48 -26.42 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.121 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -71.92 -51.69 20.91 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.304 -0.872 . . . . 0.0 110.001 -179.314 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 2.3 t-160 -74.75 -26.37 59.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.903 -1.123 . . . . 0.0 110.689 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -67.62 -40.79 84.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.809 -1.182 . . . . 0.0 110.222 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -91.69 -58.37 2.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.875 -1.141 . . . . 0.0 109.382 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -52.39 -22.83 5.06 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.118 -0.989 . . . . 0.0 108.45 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.45 -1.96 53.57 Favored Glycine 0 N--CA 1.497 2.712 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' NH1' ' CD ' ' A' ' 21' ' ' GLU . 66.7 ttt-85 -55.35 -38.72 69.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.873 -1.369 . . . . 0.0 109.495 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 17.6 pt-20 -166.82 172.65 10.2 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.447 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' ' HZ1' ' A' ' 28' ' ' LYS . . . 69.55 -147.93 46.16 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . 5.6 m-20 -47.17 171.87 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.63 -0.924 . . . . 0.0 109.492 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.01 -5.08 42.09 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.233 -0.917 . . . . 0.0 110.692 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.402 ' C ' ' OG ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -170.47 67.92 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.173 -1.579 . . . . 0.0 112.313 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' N ' ' OG ' ' A' ' 18' ' ' SER . 37.7 mtpt -141.7 148.21 38.71 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.537 -1.352 . . . . 0.0 107.506 177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 73' ' ' PHE . 3.6 mp -95.19 134.09 38.32 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 122.215 1.007 . . . . 0.0 111.24 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' A' ' 21' ' ' GLU . 45.5 mttp -112.01 156.44 22.15 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' LYS . 8.7 mtmp? -48.1 -38.57 17.95 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.731 -1.231 . . . . 0.0 108.607 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.7 m -54.29 -18.16 3.71 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' LEU . 53.9 mt-10 -100.54 -42.6 6.5 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -64.49 -49.83 69.84 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.138 -0.977 . . . . 0.0 108.926 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -66.77 -38.91 87.5 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.916 -1.115 . . . . 0.0 109.147 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -76.98 -31.3 56.42 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.215 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 31' ' ' GLU . 20.3 tp -76.33 -28.66 56.97 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.107 -0.996 . . . . 0.0 108.945 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 32' ' ' LEU . 56.8 mt -76.03 -41.9 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -80.11 -23.41 41.23 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -92.61 -43.84 8.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.141 -0.974 . . . . 0.0 111.622 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 41' ' ' SER . 9.4 mm-40 -107.76 -65.57 1.1 Allowed 'General case' 0 N--CA 1.504 2.257 0 O-C-N 121.017 -1.052 . . . . 0.0 110.966 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.57 28.61 0.06 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.131 -0.981 . . . . 0.0 109.397 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -79.57 -17.66 53.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.978 -1.076 . . . . 0.0 110.702 -179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.94 -25.25 16.62 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.851 -1.156 . . . . 0.0 110.299 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -108.98 -28.36 9.15 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.254 -0.904 . . . . 0.0 109.168 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.0 tp -113.04 127.26 56.17 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.631 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 4.7 pm0 -49.49 132.11 20.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.404 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.07 100.79 0.79 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 0.0 108.848 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.7 pt -63.39 138.94 22.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 109.845 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -106.7 -17.68 14.16 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -115.96 136.44 53.03 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.4 -18.55 60.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.151 -0.968 . . . . 0.0 109.711 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -45.04 -38.62 5.04 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.057 -1.027 . . . . 0.0 111.183 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 53' ' ' VAL . 34.1 m -77.28 -38.36 26.91 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 O-C-N 120.701 -1.249 . . . . 0.0 107.671 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -25.03 35.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 178.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -79.35 -29.99 42.47 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HZ3' ' N ' ' A' ' 56' ' ' VAL . 1.4 ttpm? -77.75 -55.78 5.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.638 ' N ' ' HZ3' ' A' ' 55' ' ' LYS . 2.5 p -51.84 -42.82 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 53' ' ' VAL . 10.1 mtp -61.75 -31.66 71.86 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' LYS . 23.4 tt0 -67.11 -27.6 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.5 m -87.45 -28.12 22.29 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.606 -0.684 . . . . 0.0 109.223 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -99.24 -41.81 7.31 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.32 -0.863 . . . . 0.0 110.74 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' MET . 6.2 m-20 -55.47 108.77 0.46 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.475 -1.391 . . . . 0.0 110.03 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -90.03 -42.53 11.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 20.9 p-10 -79.09 -2.81 42.32 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.66 45.69 93.02 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -94.41 -5.19 46.9 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.35 -1.088 . . . . 0.0 109.546 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.99 4.1 58.01 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.371 -1.891 . . . . 0.0 108.371 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -125.69 175.0 7.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' O ' ' A' ' 69' ' ' ASP . 90.3 m -127.16 90.62 3.17 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.151 -0.968 . . . . 0.0 110.489 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 68' ' ' CYS . 6.8 m-20 -53.4 -169.24 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.82 -55.84 5.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.314 -1.491 . . . . 0.0 111.145 -178.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.34 -29.52 48.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.964 -1.085 . . . . 0.0 110.292 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -88.79 -42.43 11.91 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.964 -1.085 . . . . 0.0 108.677 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 2.2 t80 -59.22 -37.84 78.49 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.163 -0.961 . . . . 0.0 109.24 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.05 86.73 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.0 -18.55 1.43 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' O ' HG13 ' A' ' 80' ' ' VAL . 21.9 t80 -74.92 -55.48 5.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.86 -1.15 . . . . 0.0 109.029 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.449 ' O ' ' OG1' ' A' ' 81' ' ' THR . 55.8 t -54.67 -30.95 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.826 -1.171 . . . . 0.0 108.002 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.788 ' O ' HG23 ' A' ' 82' ' ' THR . 9.0 t -67.19 -34.79 78.26 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.35 -0.844 . . . . 0.0 109.277 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -75.02 -28.91 60.68 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.458 -0.776 . . . . 0.0 109.511 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -87.5 -31.56 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 178.184 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.492 ' OG1' ' SD ' ' B' ' 7' ' ' MET . 40.5 m -73.79 -35.74 64.96 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 78' ' ' SER . 21.0 p -68.14 -37.26 80.88 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.163 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.86 -48.92 74.78 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.777 -1.202 . . . . 0.0 108.509 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.4 t -58.27 -22.23 51.76 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.472 ' CD2' ' OE2' ' A' ' 89' ' ' GLU . 10.6 t60 -92.76 -35.46 13.43 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . 10.1 tp10 -66.13 -50.64 63.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.287 -0.883 . . . . 0.0 109.312 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -61.48 -34.66 75.85 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.305 -0.872 . . . . 0.0 108.836 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 90' ' ' HIS . 17.7 t80 -69.37 -61.32 1.84 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.363 -0.836 . . . . 0.0 109.561 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' OE2' ' CD2' ' A' ' 85' ' ' HIS . 9.1 pt-20 -75.86 22.9 0.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.03 . . . . 0.0 109.772 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 88' ' ' PHE . 22.6 t-160 -68.19 101.66 1.21 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.177 -0.952 . . . . 0.0 108.838 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.462 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' B' ' 1' ' ' SER . 28.2 ttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.309 0.576 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' B' ' 0' ' ' MET . 0.4 OUTLIER 74.17 -151.86 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 110.634 179.211 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -46.84 -23.87 0.5 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.734 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.721 HD22 ' N ' ' B' ' 3' ' ' LEU . 2.6 mm? -81.16 -25.88 36.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.093 -1.004 . . . . 0.0 109.34 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 8' ' ' VAL . 24.5 tt0 -76.19 -22.86 54.8 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 108.302 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mtmm -77.27 -51.96 10.01 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.34 -54.54 31.48 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.351 -0.843 . . . . 0.0 110.364 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.492 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 6.0 mtt -54.92 -37.57 66.56 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.157 -0.964 . . . . 0.0 109.771 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 4' ' ' GLU . 71.4 t -77.58 -46.06 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.942 -1.099 . . . . 0.0 109.085 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.87 71.42 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.453 -0.779 . . . . 0.0 109.519 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 14' ' ' PHE . 0.9 OUTLIER -79.65 -47.98 14.49 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.079 -1.013 . . . . 0.0 110.956 -178.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -45.82 -30.8 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.97 -1.081 . . . . 0.0 109.332 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -75.09 -47.65 27.7 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 108.856 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.66 -26.44 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.35 -0.844 . . . . 0.0 109.068 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.6 OUTLIER -71.74 -51.92 20.32 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.261 -0.899 . . . . 0.0 110.019 -179.402 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 2.3 t-160 -74.53 -26.19 59.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.848 -1.158 . . . . 0.0 110.74 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -67.86 -40.69 83.6 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.764 -1.21 . . . . 0.0 110.165 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -91.82 -58.19 2.49 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.904 -1.122 . . . . 0.0 109.373 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -52.58 -22.85 5.43 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.366 179.376 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.41 -1.87 53.66 Favored Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CD ' ' B' ' 21' ' ' GLU . 66.8 ttt-85 -55.41 -38.76 69.34 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.862 -1.375 . . . . 0.0 109.514 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.524 ' O ' ' NZ ' ' B' ' 28' ' ' LYS . 17.2 pt-20 -166.71 172.76 10.24 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.461 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.462 ' HA3' ' HZ1' ' B' ' 28' ' ' LYS . . . 69.44 -147.93 46.33 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 22' ' ' GLY . 5.6 m-20 -47.04 171.84 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.582 -0.952 . . . . 0.0 109.549 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -74.97 -5.15 42.35 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.304 -0.872 . . . . 0.0 110.618 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.406 ' C ' ' OG ' ' B' ' 18' ' ' SER . 1.0 OUTLIER -170.54 67.89 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.179 -1.575 . . . . 0.0 112.269 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.456 ' N ' ' OG ' ' B' ' 18' ' ' SER . 37.7 mtpt -141.65 148.39 39.08 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.548 -1.345 . . . . 0.0 107.616 177.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' B' ' 73' ' ' PHE . 3.5 mp -95.25 134.13 38.36 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 122.281 1.038 . . . . 0.0 111.239 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 21' ' ' GLU . 45.9 mttp -112.05 156.37 22.32 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 28' ' ' LYS . 8.6 mtmp? -47.87 -38.86 17.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.642 -1.286 . . . . 0.0 108.61 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -18.13 3.72 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' B' ' 35' ' ' LEU . 53.4 mt-10 -100.63 -42.42 6.54 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -64.73 -50.02 68.54 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 119.389 -0.924 . . . . 0.0 108.838 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.43 -38.98 88.63 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.844 -1.16 . . . . 0.0 109.133 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.91 -31.42 56.67 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.312 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 31' ' ' GLU . 19.7 tp -76.32 -28.78 57.05 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.203 -0.935 . . . . 0.0 108.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' B' ' 32' ' ' LEU . 57.0 mt -75.99 -41.65 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.0 109.433 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -80.22 -23.38 40.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 110.198 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -92.53 -44.02 8.85 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.096 -1.002 . . . . 0.0 111.633 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 41' ' ' SER . 9.3 mm-40 -107.52 -65.61 1.09 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' B' ' 40' ' ' LEU . 0.8 OUTLIER -72.47 28.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.443 -178.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 39' ' ' GLU . 1.1 p -79.57 -17.6 53.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.967 -1.083 . . . . 0.0 110.697 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -94.89 -25.1 16.71 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.903 -1.123 . . . . 0.0 110.382 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -109.0 -28.54 9.04 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.245 -0.909 . . . . 0.0 109.193 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.85 127.29 56.14 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.632 ' CD ' ' H ' ' B' ' 45' ' ' GLU . 4.7 pm0 -49.52 132.05 21.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.357 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.08 100.84 0.8 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 108.798 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 31.3 pt -63.35 138.87 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 120.959 -1.088 . . . . 0.0 109.767 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.7 -17.77 14.14 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.8 136.42 53.07 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -74.44 -18.4 60.65 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.23 -0.919 . . . . 0.0 109.683 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -45.05 -38.61 5.05 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.025 -1.047 . . . . 0.0 111.303 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.442 HG23 ' N ' ' B' ' 53' ' ' VAL . 34.1 m -77.18 -38.59 27.64 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.442 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -61.75 -24.92 35.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -79.51 -29.81 41.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.684 ' HZ3' ' N ' ' B' ' 56' ' ' VAL . 1.4 ttpm? -77.83 -55.83 5.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.684 ' N ' ' HZ3' ' B' ' 55' ' ' LYS . 2.5 p -51.78 -42.74 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.503 ' O ' ' N ' ' B' ' 61' ' ' ASP . 10.1 mtp -61.8 -31.63 71.86 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 55' ' ' LYS . 23.3 tt0 -67.11 -27.86 67.68 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.1 m -87.13 -28.18 22.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 60' ' ' LEU . 4.5 mm? -99.28 -41.89 7.25 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.36 -0.838 . . . . 0.0 110.745 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 57' ' ' MET . 6.2 m-20 -55.47 108.86 0.47 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.505 -1.372 . . . . 0.0 109.989 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -89.96 -42.82 10.96 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 21.1 p-10 -78.87 -2.52 40.17 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.33 45.87 92.37 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 108.048 -2.021 . . . . 0.0 108.048 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -94.46 -5.28 46.58 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.447 -1.031 . . . . 0.0 109.552 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.03 4.21 58.5 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.38 -1.888 . . . . 0.0 108.38 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -125.84 174.97 7.98 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' B' ' 69' ' ' ASP . 89.1 m -127.19 90.58 3.16 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.246 -0.909 . . . . 0.0 110.513 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.491 ' O ' ' O ' ' B' ' 68' ' ' CYS . 7.0 m-20 -53.33 -169.31 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -75.92 -55.81 5.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.418 -1.426 . . . . 0.0 111.179 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -54.26 -29.43 46.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.895 -1.128 . . . . 0.0 110.363 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -88.88 -42.4 11.87 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.003 -1.061 . . . . 0.0 108.691 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 2.2 t80 -59.29 -37.81 78.62 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.282 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.1 86.54 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.95 -18.6 1.41 Allowed 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.581 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.456 ' O ' HG13 ' B' ' 80' ' ' VAL . 22.0 t80 -74.84 -55.41 5.84 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.845 -1.159 . . . . 0.0 109.089 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.451 ' O ' ' OG1' ' B' ' 81' ' ' THR . 55.1 t -54.69 -30.97 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.785 ' O ' HG23 ' B' ' 82' ' ' THR . 9.5 t -67.28 -34.83 78.24 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.268 -0.895 . . . . 0.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.2 ttp -74.87 -29.16 60.93 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.427 -0.796 . . . . 0.0 109.571 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.456 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -87.19 -31.78 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.132 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 43.8 m -73.78 -35.48 64.95 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.785 HG23 ' O ' ' B' ' 78' ' ' SER . 20.6 p -68.39 -37.21 80.17 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.142 -1.023 . . . . 0.0 110.183 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.15 74.15 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.628 -1.295 . . . . 0.0 108.473 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 -22.17 49.4 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.476 ' CD2' ' OE2' ' B' ' 89' ' ' GLU . 11.0 t60 -92.8 -35.54 13.35 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 82' ' ' THR . 10.1 tp10 -66.02 -50.52 63.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 0.0 109.423 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -61.58 -34.51 75.74 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.333 -0.855 . . . . 0.0 108.84 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' B' ' 90' ' ' HIS . 17.7 t80 -69.53 -61.15 1.9 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' OE2' ' CD2' ' B' ' 85' ' ' HIS . 9.2 pt-20 -75.94 22.84 0.14 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.047 -1.033 . . . . 0.0 109.812 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' B' ' 88' ' ' PHE . 22.7 t-160 -68.09 101.68 1.19 Allowed 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.276 -0.89 . . . . 0.0 108.889 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.513 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 p -108.26 -176.0 2.93 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.423 -0.798 . . . . 0.0 110.166 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -48.94 -31.01 6.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.776 -0.578 . . . . 0.0 109.498 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.827 HD13 HD21 ' B' ' 40' ' ' LEU . 3.7 mt -75.71 -23.05 56.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 0.0 109.319 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.65 -28.26 33.69 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.977 -1.077 . . . . 0.0 108.758 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.33 -44.72 67.62 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.34 -46.79 84.99 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.415 -0.803 . . . . 0.0 109.362 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 36.0 mtt -53.83 -43.02 69.1 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 109.026 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.26 -51.91 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.356 -0.84 . . . . 0.0 109.881 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -31.3 64.12 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.406 -0.808 . . . . 0.0 110.26 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 14' ' ' PHE . 2.5 mt -79.18 -45.79 19.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.818 -1.176 . . . . 0.0 110.789 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.1 mt -46.98 -33.85 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.901 -1.125 . . . . 0.0 109.66 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -74.34 -51.96 13.61 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.975 . . . . 0.0 110.072 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -76.39 -25.46 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.175 -0.953 . . . . 0.0 109.328 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' LEU . 5.9 t80 -69.61 -45.26 68.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.218 -0.926 . . . . 0.0 110.234 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.87 51.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.974 -1.079 . . . . 0.0 111.087 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.77 -42.32 81.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.856 -1.152 . . . . 0.0 111.099 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' GLY . 43.6 m-85 -84.51 -59.46 2.37 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.596 -1.315 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -52.22 -20.39 2.6 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.783 -1.198 . . . . 0.0 107.963 178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' TYR . . . -99.54 4.78 58.31 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.7 ttt85 -74.61 -49.09 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.734 -1.451 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 6.0 tt0 -135.02 162.98 30.92 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.227 -0.921 . . . . 0.0 110.025 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.558 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 84.0 -172.96 50.19 Favored Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -74.94 34.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -1.148 . . . . 0.0 108.376 178.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 22' ' ' GLY . 21.0 pttm 45.59 171.69 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.905 0.859 . . . . 0.0 111.703 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 64.61 0.26 1.09 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.611 -0.681 . . . . 0.0 109.434 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 69' ' ' ASP . 21.4 mmtt -125.42 142.83 51.28 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 28' ' ' LYS . 1.6 tm? -89.36 120.8 31.02 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.354 -0.841 . . . . 0.0 109.669 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.592 ' N ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.28 148.02 26.83 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' GLU . 33.9 mtmm -46.19 -47.38 17.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.526 -1.359 . . . . 0.0 109.738 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -51.99 -12.39 0.22 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.195 -0.941 . . . . 0.0 110.056 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.3 mt-10 -102.86 -37.97 7.61 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 -61.58 2.22 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -58.72 -39.0 79.57 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.973 -1.079 . . . . 0.0 109.626 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -76.43 -30.63 57.47 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.206 -0.934 . . . . 0.0 110.453 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' GLU . 56.4 tp -74.66 -33.11 62.43 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.064 -1.023 . . . . 0.0 108.245 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' A' ' 47' ' ' ILE . 1.5 mm -69.53 -43.73 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.639 -0.663 . . . . 0.0 109.739 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OG ' ' A' ' 41' ' ' SER . 16.4 t-20 -84.57 -25.38 28.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.326 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.47 -46.99 9.11 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.553 -1.342 . . . . 0.0 111.982 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' SER . 39.0 tt0 -104.19 -57.49 2.02 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.874 -1.141 . . . . 0.0 110.601 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.846 HD21 HD13 ' B' ' 3' ' ' LEU . 7.6 mt -76.18 32.75 0.12 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.052 -1.03 . . . . 0.0 109.108 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -86.39 -16.66 36.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.016 -1.052 . . . . 0.0 110.366 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.13 -20.48 15.97 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.947 -1.096 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.56 -47.4 3.63 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.495 -0.753 . . . . 0.0 109.457 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.1 tp -99.56 139.23 35.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -47.33 128.9 12.57 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.3 -0.875 . . . . 0.0 109.602 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 1.5 mp0 -58.54 100.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.191 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' A' ' 36' ' ' ILE . 8.7 mt -65.58 124.55 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.155 -0.965 . . . . 0.0 108.501 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -112.84 -21.82 10.98 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.24 150.55 20.79 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.13 -27.81 16.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.115 -0.99 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -51.53 -29.8 18.12 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 0.0 110.325 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.1 -37.07 39.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 120.756 -1.215 . . . . 0.0 108.017 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -23.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.55 -34.05 60.69 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -78.15 -49.35 14.01 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.91 -40.46 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ASP . 3.0 mmt -64.09 -27.69 69.27 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -65.86 -37.07 85.21 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 71.3 m -83.93 -28.59 27.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.469 -0.77 . . . . 0.0 109.311 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.5 mm? -95.05 -47.25 6.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.253 -0.904 . . . . 0.0 110.929 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' MET . 50.2 t0 -57.26 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 119.964 -1.71 . . . . 0.0 109.569 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 60' ' ' LEU . 14.3 tp10 -91.27 -29.95 16.89 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 46.5 p-10 -82.73 -5.05 58.7 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.0 45.59 96.3 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.2 p-10 -103.47 -6.17 22.08 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.502 -0.999 . . . . 0.0 109.265 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.92 -5.21 6.49 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 108.416 -1.873 . . . . 0.0 108.416 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 65' ' ' ASP . 47.7 mt-10 -122.35 170.61 9.76 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.508 ' O ' ' O ' ' A' ' 69' ' ' ASP . 54.9 m -127.33 94.57 4.03 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.937 . . . . 0.0 110.138 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.35 -173.24 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' B' ' 82' ' ' THR . 2.5 p90 -69.95 -30.31 67.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.412 -1.43 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -77.5 -28.99 52.31 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.976 -1.078 . . . . 0.0 110.538 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -91.41 -41.61 10.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.617 -1.302 . . . . 0.0 109.948 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.48 -39.23 83.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.852 -1.155 . . . . 0.0 108.382 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.47 ' SD ' HD13 ' A' ' 10' ' ' LEU . 6.8 ttt -76.0 -16.18 60.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.17 -0.956 . . . . 0.0 108.455 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.04 -24.13 61.49 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.45 -41.9 60.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.458 -0.776 . . . . 0.0 109.42 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.71 -39.88 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 118.463 -1.295 . . . . 0.0 107.563 178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' THR . 21.5 p -63.58 -37.68 88.24 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.412 ' SD ' HD21 ' A' ' 60' ' ' LEU . 2.4 ttp -68.57 -25.74 65.04 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.3 t -83.44 -37.91 13.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.2 m -64.83 -40.8 95.76 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' SER . 35.8 p -59.94 -45.1 93.71 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.169 -0.957 . . . . 0.0 110.632 -178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.8 -28.89 52.59 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.839 -1.163 . . . . 0.0 108.171 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 m -80.8 -10.73 59.7 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.45 -41.95 5.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.606 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -79.51 -30.91 42.1 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.777 -1.202 . . . . 0.0 110.243 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.21 -47.99 69.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.096 -1.002 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -70.18 -37.21 75.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.15 -0.969 . . . . 0.0 109.451 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -89.86 33.46 0.86 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.16 -0.963 . . . . 0.0 109.459 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -70.45 100.01 1.7 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.063 -1.023 . . . . 0.0 109.567 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.358 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.7 ptt? . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p -107.96 -176.1 2.96 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.381 -0.824 . . . . 0.0 110.155 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -48.96 -31.05 6.72 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.846 HD13 HD21 ' A' ' 40' ' ' LEU . 3.7 mt -75.56 -23.08 56.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.243 -0.911 . . . . 0.0 109.299 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -81.69 -28.29 33.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.92 -1.112 . . . . 0.0 108.781 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -70.35 -44.69 67.62 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.52 85.83 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 35.6 mtt -54.03 -42.76 69.52 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.088 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -67.47 -51.91 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.405 -0.809 . . . . 0.0 109.834 -178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 -31.39 63.84 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.416 -0.802 . . . . 0.0 110.223 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.464 HD13 ' SD ' ' B' ' 74' ' ' MET . 2.4 mt -79.19 -45.89 18.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.805 -1.185 . . . . 0.0 110.781 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -46.88 -33.91 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.975 -1.078 . . . . 0.0 109.618 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -74.33 -51.99 13.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.174 -0.954 . . . . 0.0 109.969 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 t -76.31 -25.62 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 109.209 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' B' ' 10' ' ' LEU . 5.9 t80 -69.53 -45.37 68.98 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.235 -0.915 . . . . 0.0 110.224 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -77.78 -35.82 51.12 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.974 -1.079 . . . . 0.0 111.047 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.91 -42.19 81.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.927 -1.108 . . . . 0.0 111.118 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' B' ' 31' ' ' GLU . 43.3 m-85 -84.5 -59.39 2.39 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.546 -1.346 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -52.31 -20.38 2.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.778 -1.201 . . . . 0.0 107.924 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 5.03 58.29 Favored Glycine 0 N--CA 1.498 2.781 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -74.76 -49.14 22.04 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.686 -1.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.404 ' N ' ' OE2' ' B' ' 31' ' ' GLU . 6.0 tt0 -134.9 162.97 30.91 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.13 -0.981 . . . . 0.0 109.995 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.565 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 83.97 -172.99 50.26 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' B' ' 24' ' ' LYS . 0.6 OUTLIER -74.86 34.33 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -1.099 . . . . 0.0 108.37 179.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' B' ' 22' ' ' GLY . 21.0 pttm 45.65 171.74 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.886 0.851 . . . . 0.0 111.755 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 64.55 0.28 1.07 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.659 -0.65 . . . . 0.0 109.382 -177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' B' ' 69' ' ' ASP . 21.0 mmtt -125.4 142.85 51.27 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.588 HD13 ' N ' ' B' ' 28' ' ' LYS . 1.6 tm? -89.27 120.73 30.89 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 109.704 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.588 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -104.26 148.15 26.67 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.691 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' B' ' 31' ' ' GLU . 33.8 mtmm -46.11 -47.41 17.32 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.509 -1.37 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.7 m -51.99 -12.41 0.22 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.218 -0.926 . . . . 0.0 110.079 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 35' ' ' LEU . 15.3 mt-10 -102.81 -38.06 7.59 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -61.74 2.12 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -58.54 -39.04 79.07 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.894 -1.128 . . . . 0.0 109.666 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -76.39 -30.57 57.56 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.478 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' B' ' 31' ' ' GLU . 56.7 tp -74.84 -32.97 62.08 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.53 HG21 HD12 ' B' ' 47' ' ' ILE . 1.5 mm -69.61 -43.79 80.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.58 -0.7 . . . . 0.0 109.755 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 16.6 t-20 -84.46 -25.35 28.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 111.338 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -87.5 -47.0 9.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.551 -1.343 . . . . 0.0 111.989 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.448 ' C ' ' H ' ' B' ' 41' ' ' SER . 39.7 tt0 -104.19 -57.5 2.02 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 120.875 -1.141 . . . . 0.0 110.602 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 3' ' ' LEU . 7.7 mt -76.21 32.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.025 -1.047 . . . . 0.0 109.162 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.448 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -86.43 -16.67 36.46 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.943 -1.098 . . . . 0.0 110.32 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -100.08 -20.52 15.98 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.875 -1.141 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -107.61 -47.39 3.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.399 -0.813 . . . . 0.0 109.425 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -99.44 139.2 35.44 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -47.32 128.93 12.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 1.5 mp0 -58.44 100.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.555 -0.715 . . . . 0.0 110.225 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.53 HD12 HG21 ' B' ' 36' ' ' ILE . 8.9 mt -65.57 124.53 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 108.518 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -112.8 -21.88 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -97.25 150.6 20.75 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -93.12 -27.88 16.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.139 -0.975 . . . . 0.0 109.511 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -51.65 -29.6 18.45 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.392 -0.817 . . . . 0.0 110.382 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -75.23 -37.08 38.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 120.78 -1.2 . . . . 0.0 108.026 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -23.86 30.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -75.64 -34.03 60.51 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.02 -49.39 14.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -40.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' ASP . 3.0 mmt -64.19 -27.62 69.19 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -65.94 -37.04 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.0 108.635 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 69.2 m -83.9 -28.64 27.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.577 -0.702 . . . . 0.0 109.303 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 62' ' ' GLU . 4.5 mm? -94.93 -47.44 6.43 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.249 -0.907 . . . . 0.0 110.971 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' MET . 50.1 t0 -57.28 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.99 -1.694 . . . . 0.0 109.575 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' B' ' 60' ' ' LEU . 14.4 tp10 -91.17 -30.1 16.87 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' B' ' 61' ' ' ASP . 46.7 p-10 -82.64 -5.08 58.63 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.04 45.56 96.35 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' B' ' 67' ' ' GLU . 38.3 p-10 -103.47 -6.1 22.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.437 -1.037 . . . . 0.0 109.346 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.405 ' N ' ' OD2' ' B' ' 61' ' ' ASP . . . 69.74 -5.11 6.29 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' B' ' 65' ' ' ASP . 47.4 mt-10 -122.31 170.45 9.91 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' B' ' 69' ' ' ASP . 54.9 m -127.29 94.66 4.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.089 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' B' ' 69' ' ' ASP . 0.3 OUTLIER -50.28 -173.31 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.73 ' CD1' HG21 ' A' ' 82' ' ' THR . 2.5 p90 -69.8 -30.44 67.98 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.368 -1.457 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -77.39 -29.06 52.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.983 -1.073 . . . . 0.0 110.574 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.38 -41.78 10.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.631 -1.293 . . . . 0.0 109.976 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.45 -39.18 82.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.807 -1.183 . . . . 0.0 108.365 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.464 ' SD ' HD13 ' B' ' 10' ' ' LEU . 6.9 ttt -76.01 -16.08 60.03 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.058 -1.026 . . . . 0.0 108.421 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.18 -24.01 61.36 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 176.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -74.62 -42.14 59.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.488 -0.757 . . . . 0.0 109.329 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.47 -39.75 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 118.451 -1.3 . . . . 0.0 107.669 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' THR . 20.8 p -63.63 -37.77 88.58 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.4 ' SD ' HD21 ' B' ' 60' ' ' LEU . 2.4 ttp -68.61 -25.7 64.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.42 -37.8 13.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.8 m -64.89 -40.86 95.76 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' SER . 35.5 p -59.85 -45.16 93.3 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.278 -0.889 . . . . 0.0 110.635 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.79 -28.83 52.0 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 120.837 -1.164 . . . . 0.0 108.149 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.84 -10.79 59.69 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.942 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -105.39 -41.84 5.4 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.237 -0.915 . . . . 0.0 110.717 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -79.58 -30.89 41.75 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.819 -1.176 . . . . 0.0 110.177 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.29 -47.98 69.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.039 -1.038 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -70.25 -37.2 74.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -89.73 33.43 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.42 100.04 1.69 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.126 -0.984 . . . . 0.0 109.495 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.346 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.0 m -107.3 75.38 1.02 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.422 -0.799 . . . . 0.0 109.883 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -49.66 -31.2 10.43 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.315 -0.866 . . . . 0.0 108.909 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.25 -18.36 63.14 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.419 -0.8 . . . . 0.0 109.733 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -74.18 -28.3 61.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.978 -1.076 . . . . 0.0 108.197 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -69.27 -45.94 68.45 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.31 20.87 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.729 -0.607 . . . . 0.0 111.087 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.7 mtt -52.38 -38.59 59.25 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.173 -0.954 . . . . 0.0 110.511 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -77.05 -41.48 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.778 -1.201 . . . . 0.0 109.465 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.91 77.99 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.399 -0.813 . . . . 0.0 109.914 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' CD2' ' SD ' ' A' ' 74' ' ' MET . 10.0 mp -79.84 -47.62 14.85 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.919 -1.113 . . . . 0.0 110.77 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.7 mt -45.29 -32.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.745 -1.222 . . . . 0.0 109.982 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.84 -52.13 9.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.006 -1.059 . . . . 0.0 109.7 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -73.73 -25.7 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -64.38 -58.43 6.5 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.45 -0.782 . . . . 0.0 110.59 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.61 -26.36 37.84 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.74 -1.225 . . . . 0.0 111.262 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -59.51 -41.69 90.48 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.439 -1.413 . . . . 0.0 109.049 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -77.91 -42.76 32.11 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 108.851 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 p -59.31 -40.03 84.96 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.01 6.19 72.34 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -67.73 -50.97 54.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.77 -1.43 . . . . 0.0 108.58 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -156.08 161.21 40.43 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.323 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.73 -167.94 32.85 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -62.0 128.02 34.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.486 -1.008 . . . . 0.0 110.219 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 44.9 pttt -74.82 170.73 15.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.513 -0.742 . . . . 0.0 109.863 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 2.1 t60 82.9 -7.02 1.24 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.962 -0.461 . . . . 0.0 110.396 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -135.05 146.75 49.26 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.268 -0.895 . . . . 0.0 108.623 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.9 mp -93.81 134.91 35.66 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.981 0.896 . . . . 0.0 108.748 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' GLU . 31.1 mttm -109.57 158.91 17.55 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 31' ' ' GLU . 27.6 mtmm -45.95 -47.55 16.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.003 -1.061 . . . . 0.0 109.367 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -51.41 -16.49 0.57 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.186 -0.946 . . . . 0.0 108.66 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' LYS . 33.2 mt-10 -99.77 -44.66 6.01 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -61.94 -54.02 47.68 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.224 -0.991 . . . . 0.0 109.225 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -66.0 -35.71 81.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.752 -1.217 . . . . 0.0 109.499 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.84 -32.16 46.03 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.983 -1.073 . . . . 0.0 109.899 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.6 tp -71.41 -34.99 70.83 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HD12 ' A' ' 47' ' ' ILE . 61.7 mt -67.36 -39.92 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.34 -22.78 38.21 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.538 -0.726 . . . . 0.0 111.356 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -96.77 -43.99 7.27 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.875 -1.141 . . . . 0.0 112.272 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 41' ' ' SER . 17.3 mp0 -105.53 -63.98 1.19 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.85 -1.157 . . . . 0.0 110.013 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.95 33.79 0.08 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -88.49 -19.57 26.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.88 -1.137 . . . . 0.0 110.708 -179.435 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -91.87 -26.36 18.51 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.929 -1.107 . . . . 0.0 109.308 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -103.02 -50.27 3.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.438 -0.789 . . . . 0.0 109.691 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -88.79 136.93 32.75 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.962 -1.086 . . . . 0.0 108.522 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 47' ' ' ILE . 23.2 tt0 -49.36 134.93 18.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.0 109.758 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.65 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 2.0 pm0 -56.0 82.11 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.608 -0.682 . . . . 0.0 109.834 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.542 HD12 HD13 ' A' ' 36' ' ' ILE . 9.1 mt -55.89 125.0 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.342 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -113.38 -18.38 12.04 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -100.15 152.94 19.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 108.941 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.3 -26.52 17.28 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.27 -0.894 . . . . 0.0 110.227 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.45 -34.81 5.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.205 -0.935 . . . . 0.0 111.094 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' VAL . 27.7 m -74.5 -38.34 45.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 O-C-N 120.738 -1.226 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -66.49 -22.99 30.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.76 35.58 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -34.03 23.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.473 -0.767 . . . . 0.0 108.988 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 57' ' ' MET . 0.8 OUTLIER -62.41 -42.91 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.047 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.558 ' O ' ' N ' ' A' ' 61' ' ' ASP . 11.5 mtt -60.0 -35.24 74.62 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -62.06 -30.27 70.87 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.04 -1.038 . . . . 0.0 108.732 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.8 m -88.54 -29.23 20.23 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.679 -0.638 . . . . 0.0 109.806 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.5 mm? -101.08 -42.45 6.37 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.252 -0.905 . . . . 0.0 110.649 -179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 57' ' ' MET . 31.0 t0 -55.87 104.93 0.15 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.334 -1.479 . . . . 0.0 110.134 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' B' ' 62' ' ' GLU . 57.4 tt0 -90.85 -45.04 9.03 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 7.4 p30 -77.9 -2.98 39.4 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.26 44.02 97.9 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.212 -1.955 . . . . 0.0 108.212 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.3 p30 -96.17 -4.79 41.97 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.47 -1.017 . . . . 0.0 109.842 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.85 7.71 50.14 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.339 -1.904 . . . . 0.0 108.339 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -129.03 173.11 10.73 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' O ' ' O ' ' A' ' 69' ' ' ASP . 95.1 m -127.44 91.54 3.33 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.396 -0.815 . . . . 0.0 110.84 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.499 ' OD1' ' CD2' ' A' ' 70' ' ' PHE . 41.6 t0 -54.11 -167.3 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.703 ' CD1' HG21 ' B' ' 82' ' ' THR . 1.5 p90 -77.84 -30.52 51.07 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.461 -1.399 . . . . 0.0 111.334 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 2.7 pp0? -75.58 -33.27 60.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.832 -1.168 . . . . 0.0 110.524 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 71' ' ' GLN . 50.2 tt0 -87.23 -38.03 16.7 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.841 -1.162 . . . . 0.0 108.212 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.5 t80 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.268 -0.895 . . . . 0.0 109.052 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.557 ' SD ' ' CD2' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -77.11 -17.04 58.95 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.55 -18.97 50.61 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 176.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 80' ' ' VAL . 20.6 t80 -74.73 -54.28 7.66 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.97 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 81' ' ' THR . 66.9 t -52.57 -33.83 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.111 -0.993 . . . . 0.0 108.525 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' THR . 0.8 OUTLIER -66.93 -35.17 79.39 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.702 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.0 ttp -72.42 -29.3 63.58 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.813 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -88.43 -31.62 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.195 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 48.7 m -74.73 -36.1 62.65 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' SER . 16.7 p -66.25 -37.14 84.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.024 -1.048 . . . . 0.0 110.21 -179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.92 76.24 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.768 -1.207 . . . . 0.0 108.555 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.75 -44.91 80.2 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.462 -0.774 . . . . 0.0 108.94 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.66 -28.04 63.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 90' ' ' HIS . 28.0 tp10 -68.27 -50.32 54.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.0 108.992 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -55.55 -45.93 77.19 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -74.48 -32.62 62.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -0.833 . . . . 0.0 109.715 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.41 -1.09 56.65 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.277 -0.889 . . . . 0.0 109.202 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' GLU . 15.6 t-80 -67.12 101.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 0.0 109.496 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.462 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.48 ' O ' ' SD ' ' B' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m -107.47 75.38 1.01 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.786 . . . . 0.0 109.863 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -49.77 -30.92 10.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.314 -0.866 . . . . 0.0 108.899 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -70.34 -18.59 63.08 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.429 -0.794 . . . . 0.0 109.703 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -74.12 -28.28 61.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.876 -1.14 . . . . 0.0 108.183 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.24 -45.81 68.86 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 -55.3 20.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.816 -0.552 . . . . 0.0 111.072 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.425 ' SD ' ' OG1' ' A' ' 81' ' ' THR . 5.6 mtt -52.35 -38.58 59.1 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.194 -0.941 . . . . 0.0 110.565 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.2 -41.31 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.203 . . . . 0.0 109.418 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.85 78.18 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.385 -0.822 . . . . 0.0 109.929 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.554 ' CD2' ' SD ' ' B' ' 74' ' ' MET . 10.0 mp -79.9 -47.49 14.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.895 -1.128 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 50.2 mt -45.26 -32.77 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.629 -1.294 . . . . 0.0 109.972 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.69 -52.4 9.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.047 -1.033 . . . . 0.0 109.731 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.81 -25.56 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.19 -0.944 . . . . 0.0 109.572 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.1 t80 -64.33 -58.39 6.63 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.494 -0.754 . . . . 0.0 110.627 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -80.71 -26.5 37.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.808 -1.182 . . . . 0.0 111.169 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -59.35 -41.71 89.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.398 -1.439 . . . . 0.0 109.015 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HH ' ' HB2' ' B' ' 38' ' ' ASN . 12.8 m-85 -77.88 -42.62 32.73 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 108.861 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.5 p -59.53 -39.99 85.71 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.92 6.13 72.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -67.84 -50.79 54.73 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.935 -1.333 . . . . 0.0 108.631 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -156.04 161.03 40.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.501 -0.749 . . . . 0.0 110.367 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.82 -167.91 33.27 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.08 128.0 34.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.453 -1.028 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 46.5 pttt -74.74 170.69 15.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.947 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' B' ' 24' ' ' LYS . 2.1 t60 82.87 -6.87 1.25 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.961 -0.462 . . . . 0.0 110.479 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -135.16 146.67 48.98 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' B' ' 73' ' ' PHE . 2.1 mp -93.61 134.91 35.41 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.968 0.89 . . . . 0.0 108.899 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' GLU . 32.8 mttm -109.62 158.73 17.76 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' B' ' 31' ' ' GLU . 27.6 mtmm -45.83 -47.37 15.89 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.951 -1.093 . . . . 0.0 109.389 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.1 m -51.43 -16.65 0.6 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.134 -0.978 . . . . 0.0 108.646 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 28' ' ' LYS . 33.6 mt-10 -99.73 -44.66 6.02 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.497 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.6 OUTLIER -61.84 -54.02 47.81 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.083 -1.01 . . . . 0.0 109.179 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -66.12 -35.74 81.31 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 120.795 -1.19 . . . . 0.0 109.427 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -78.76 -32.15 46.48 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.032 -1.042 . . . . 0.0 109.928 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 31' ' ' GLU . 12.4 tp -71.4 -35.03 70.88 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.547 HD13 HD12 ' B' ' 47' ' ' ILE . 60.7 mt -67.42 -39.88 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.39 -22.6 38.21 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.664 -0.648 . . . . 0.0 111.327 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.421 ' HB2' ' HH ' ' B' ' 17' ' ' TYR . 4.4 m-20 -96.8 -43.94 7.29 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.882 -1.136 . . . . 0.0 112.198 -177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' B' ' 41' ' ' SER . 17.5 mp0 -105.66 -63.86 1.2 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.852 -1.155 . . . . 0.0 110.032 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -74.22 34.06 0.09 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 108.626 -179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.489 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -88.63 -19.7 25.89 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.853 -1.154 . . . . 0.0 110.568 -179.574 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -91.85 -26.1 18.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.877 -1.14 . . . . 0.0 109.376 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -103.05 -50.43 3.5 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.418 -0.801 . . . . 0.0 109.606 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 44' ' ' LEU . 16.8 tp -88.83 136.99 32.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.939 -1.1 . . . . 0.0 108.592 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' B' ' 47' ' ' ILE . 23.7 tt0 -49.4 134.92 18.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.768 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 2.0 pm0 -56.02 82.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.547 HD12 HD13 ' B' ' 36' ' ' ILE . 9.3 mt -55.79 125.17 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.066 -1.021 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -113.67 -18.16 11.95 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -100.05 152.75 19.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.435 -0.791 . . . . 0.0 108.93 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -93.46 -26.45 17.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.195 -0.941 . . . . 0.0 110.183 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -46.44 -34.98 5.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.205 -0.934 . . . . 0.0 111.03 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.46 HG23 ' N ' ' B' ' 53' ' ' VAL . 24.9 m -74.42 -38.29 46.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 O-C-N 120.716 -1.24 . . . . 0.0 108.026 179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' N ' HG23 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -66.47 -23.05 30.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 178.296 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -80.62 -33.63 35.68 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -33.95 22.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 108.947 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' B' ' 57' ' ' MET . 0.8 OUTLIER -62.32 -43.19 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.57 ' O ' ' N ' ' B' ' 61' ' ' ASP . 11.1 mtt -59.79 -35.13 74.03 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -62.15 -30.25 70.92 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.998 -1.064 . . . . 0.0 108.669 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 41.6 m -88.63 -29.06 20.23 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.567 -0.708 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.5 mm? -101.07 -42.31 6.43 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.286 -0.884 . . . . 0.0 110.69 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' B' ' 57' ' ' MET . 31.0 t0 -55.94 104.99 0.16 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.411 -1.431 . . . . 0.0 110.145 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' OE1' ' A' ' 62' ' ' GLU . 58.4 tt0 -91.02 -44.82 9.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 7.7 p30 -78.04 -2.82 39.06 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 59.99 44.14 97.49 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 108.28 -1.928 . . . . 0.0 108.28 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 p30 -96.14 -4.89 41.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.338 -1.095 . . . . 0.0 109.792 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.73 8.06 50.92 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.37 173.07 10.88 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.485 ' O ' ' O ' ' B' ' 69' ' ' ASP . 98.5 m -127.54 91.64 3.34 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.48 -0.763 . . . . 0.0 110.783 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 41.9 t0 -54.13 -167.28 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' THR . 1.5 p90 -77.8 -30.66 51.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.518 -1.364 . . . . 0.0 111.321 -179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 2.7 pp0? -75.47 -33.31 60.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.741 -1.225 . . . . 0.0 110.664 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 71' ' ' GLN . 50.5 tt0 -87.03 -38.07 16.89 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.769 -1.207 . . . . 0.0 108.336 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.531 ' CD1' HD22 ' B' ' 27' ' ' LEU . 10.2 t80 -58.14 -37.98 75.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.52 -0.737 . . . . 0.0 109.069 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -77.02 -17.19 58.99 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.5 -19.05 50.6 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.406 ' O ' HG13 ' B' ' 80' ' ' VAL . 20.6 t80 -74.66 -54.47 7.35 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 119.715 -0.794 . . . . 0.0 108.99 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.432 ' O ' ' OG1' ' B' ' 81' ' ' THR . 73.9 t -52.28 -33.79 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -0.938 . . . . 0.0 108.664 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.755 ' O ' HG23 ' B' ' 82' ' ' THR . 0.8 OUTLIER -66.9 -35.2 79.46 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 2.4 ttp -72.18 -29.53 64.08 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.901 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.406 HG13 ' O ' ' B' ' 76' ' ' PHE . 0.8 OUTLIER -88.32 -31.59 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.337 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 44.8 m -74.81 -36.12 62.46 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.755 HG23 ' O ' ' B' ' 78' ' ' SER . 16.6 p -66.04 -37.4 85.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.087 -1.008 . . . . 0.0 110.285 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.65 75.59 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.918 -1.114 . . . . 0.0 108.704 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 39.6 t -66.85 -44.82 80.01 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.63 -28.03 63.5 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.305 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' B' ' 90' ' ' HIS . 27.9 tp10 -68.34 -50.24 54.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.0 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -55.63 -45.88 77.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.385 -0.822 . . . . 0.0 108.832 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.6 -32.6 62.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.0 109.719 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.47 -1.06 56.66 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.204 -0.935 . . . . 0.0 109.21 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' B' ' 86' ' ' GLU . 15.6 t-80 -67.26 101.24 0.89 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.054 -1.029 . . . . 0.0 109.437 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.986 -1.007 . . . . 0.0 109.454 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 31.5 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p -88.43 80.55 7.41 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.444 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -50.33 -33.07 18.91 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -71.81 -21.27 61.73 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.395 -0.815 . . . . 0.0 111.235 -178.593 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -70.66 -33.99 71.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.579 -1.326 . . . . 0.0 109.001 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.14 -45.5 66.68 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.657 -0.652 . . . . 0.0 109.47 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.91 -55.95 24.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.178 -0.951 . . . . 0.0 110.749 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -57.79 -37.47 73.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.913 -1.117 . . . . 0.0 109.002 -179.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.15 -54.31 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 119.074 -1.05 . . . . 0.0 109.504 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.44 68.46 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.349 -0.844 . . . . 0.0 109.666 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' PHE . 1.4 mt -79.58 -49.22 12.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.225 -0.922 . . . . 0.0 110.129 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.6 -36.74 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.128 -0.983 . . . . 0.0 109.136 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.244 -0.91 . . . . 0.0 109.033 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 t -72.86 -26.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.136 -0.977 . . . . 0.0 109.622 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -70.64 -44.11 67.83 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.104 -1.038 . . . . 0.0 109.609 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -78.43 -40.56 35.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.064 -1.022 . . . . 0.0 110.664 -178.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.06 -41.91 89.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.789 -1.194 . . . . 0.0 110.106 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.2 -56.44 3.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 109.616 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 2.2 m -58.74 -26.79 64.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.953 -1.092 . . . . 0.0 108.78 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -94.08 0.08 66.32 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.5 ttt85 -62.74 -46.3 88.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.051 -1.264 . . . . 0.0 108.665 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.492 ' CD ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -161.0 153.36 20.37 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' CD ' ' A' ' 21' ' ' GLU . . . 118.06 -170.68 13.73 Favored Glycine 0 N--CA 1.499 2.866 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -47.42 -69.97 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.372 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.47 -9.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.291 -0.88 . . . . 0.0 109.017 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -168.05 61.69 0.07 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.476 -1.39 . . . . 0.0 110.667 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -136.8 147.31 46.53 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -99.02 128.56 45.18 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.965 0.888 . . . . 0.0 110.709 -178.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -110.97 161.02 16.27 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -46.7 -42.28 16.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.105 -0.997 . . . . 0.0 109.118 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -18.93 3.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 56.0 mt-10 -99.72 -35.69 9.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.287 -0.883 . . . . 0.0 108.702 179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -55.76 11.45 Favored 'General case' 0 C--N 1.298 -1.637 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.498 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -68.13 -33.67 74.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.964 -1.085 . . . . 0.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.44 -32.88 54.84 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.992 -1.068 . . . . 0.0 109.933 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 31' ' ' GLU . 19.0 tp -70.02 -35.8 74.6 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.451 HD13 HD12 ' A' ' 47' ' ' ILE . 72.4 mt -69.03 -40.21 80.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 O-C-N 121.619 -0.676 . . . . 0.0 110.324 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 47' ' ' ILE . 69.2 m-80 -82.3 -24.63 34.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.022 -1.049 . . . . 0.0 111.588 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -91.25 -45.38 8.66 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.665 -1.272 . . . . 0.0 112.582 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' A' ' 41' ' ' SER . 30.5 tt0 -110.44 -60.06 1.86 Allowed 'General case' 0 N--CA 1.507 2.397 0 O-C-N 120.857 -1.152 . . . . 0.0 110.25 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 40' ' ' LEU . 1.4 mm? -71.74 28.78 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.92 -1.113 . . . . 0.0 108.432 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -87.53 -17.2 32.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 110.14 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 43' ' ' PHE . 1.3 p80 -89.37 -27.13 20.67 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.832 -1.168 . . . . 0.0 109.589 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' N ' ' ND1' ' A' ' 42' ' ' HIS . 2.2 m-85 -106.7 -47.46 3.74 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 HD13 ' HB ' ' A' ' 80' ' ' VAL . 8.1 tp -86.9 135.23 33.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.951 -1.093 . . . . 0.0 108.788 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 47' ' ' ILE . 83.7 mt-10 -50.2 135.34 21.37 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.386 -0.821 . . . . 0.0 110.145 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.618 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 10.0 mp0 -54.63 82.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.603 -0.686 . . . . 0.0 109.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.544 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.4 mt -59.19 125.58 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.067 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -115.61 -15.51 11.4 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -105.24 149.78 25.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.544 -0.723 . . . . 0.0 109.124 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' VAL . 18.3 mt-30 -86.57 -26.07 24.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.188 -0.945 . . . . 0.0 109.406 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -42.29 -39.13 2.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.444 -0.785 . . . . 0.0 110.835 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 p -75.11 -38.94 43.13 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.56 -23.82 32.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' GLN . 84.5 m-20 -77.63 -35.29 52.77 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -82.27 -43.88 16.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.377 -0.827 . . . . 0.0 109.161 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -37.14 59.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 120.477 -1.39 . . . . 0.0 107.446 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.1 tpp -63.62 -25.97 68.46 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -75.11 -30.72 60.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.124 -0.985 . . . . 0.0 109.445 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -87.86 -30.14 20.38 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 72' ' ' GLU . 45.6 tp -88.75 -53.02 4.82 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.396 -0.815 . . . . 0.0 110.945 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 65' ' ' ASP . 60.8 t0 -56.34 105.68 0.22 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.681 -1.262 . . . . 0.0 109.656 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -90.36 -43.97 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -75.93 -4.95 43.83 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.39 45.44 95.93 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 108.259 -1.936 . . . . 0.0 108.259 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 61' ' ' ASP . 45.4 p30 -97.91 -6.31 32.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.387 -1.066 . . . . 0.0 109.965 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.32 8.88 84.14 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -138.35 172.59 12.68 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 69' ' ' ASP . 15.1 m -122.34 93.33 3.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.46 -0.775 . . . . 0.0 110.595 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -52.15 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.4 OUTLIER -74.68 -29.67 61.3 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.279 -1.513 . . . . 0.0 110.747 -179.691 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -66.23 -47.81 72.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.116 -0.99 . . . . 0.0 111.55 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.4 pt-20 -88.02 -30.92 19.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.423 -1.423 . . . . 0.0 109.102 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 14' ' ' PHE . 1.6 t80 -52.92 -48.37 67.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.548 -1.345 . . . . 0.0 107.926 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.53 68.84 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.4 -18.34 1.59 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.999 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CE2' HG11 ' A' ' 80' ' ' VAL . 84.8 t80 -67.73 -56.19 10.22 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 62.1 t -53.95 -29.63 18.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 CA-C-O 122.042 0.925 . . . . 0.0 108.768 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 82' ' ' THR . 7.0 t -69.24 -34.45 74.82 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 121.372 -0.83 . . . . 0.0 109.856 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.2 mtp -77.54 -29.49 52.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.49 -0.756 . . . . 0.0 110.0 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' HD13 ' A' ' 44' ' ' LEU . 1.2 m -87.55 -32.51 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' VAL . 99.3 m -74.67 -35.86 62.81 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.653 HG21 ' CD1' ' B' ' 70' ' ' PHE . 7.8 p -68.69 -39.29 80.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.816 -1.178 . . . . 0.0 110.086 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.72 77.97 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.838 -1.164 . . . . 0.0 108.29 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.0 m -65.25 -17.06 64.19 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.936 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -105.45 -35.5 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.415 -0.803 . . . . 0.0 109.708 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 82' ' ' THR . 18.8 tt0 -69.52 -35.36 75.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.005 -1.059 . . . . 0.0 109.152 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -73.03 -42.52 63.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.313 -0.867 . . . . 0.0 109.175 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.6 -7.96 43.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.215 -0.928 . . . . 0.0 109.014 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -99.86 -9.21 23.15 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.285 -0.885 . . . . 0.0 110.289 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -62.43 101.47 0.24 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.84 -1.162 . . . . 0.0 109.181 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 118.104 -0.95 . . . . 0.0 109.511 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 35.5 mtp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.1 p -88.29 80.93 7.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.136 -0.978 . . . . 0.0 109.491 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -50.7 -32.99 21.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.679 0.752 . . . . 0.0 109.118 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' B' ' 7' ' ' MET . 0.2 OUTLIER -71.66 -21.42 61.81 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.293 -0.88 . . . . 0.0 111.221 -178.647 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -70.68 -33.86 71.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.377 -1.452 . . . . 0.0 108.984 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -70.19 -45.43 66.66 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.584 -0.698 . . . . 0.0 109.449 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.19 -55.76 27.65 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 110.811 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -57.62 -37.52 73.41 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.984 -1.072 . . . . 0.0 108.979 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -68.14 -54.5 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.009 -1.057 . . . . 0.0 109.404 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.66 68.42 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.303 -0.873 . . . . 0.0 109.597 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.46 -49.3 12.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.077 -1.014 . . . . 0.0 110.198 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mm -45.6 -36.73 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.039 -1.038 . . . . 0.0 109.142 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.21 -50.96 42.53 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.227 -0.92 . . . . 0.0 109.087 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.1 t -72.88 -26.48 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -70.49 -43.98 68.61 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.995 -1.066 . . . . 0.0 109.642 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' B' ' 19' ' ' GLY . 0.2 OUTLIER -78.57 -40.39 34.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.942 -1.099 . . . . 0.0 110.69 -178.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.21 -41.81 89.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.787 -1.196 . . . . 0.0 110.163 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -86.42 -56.33 3.48 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.892 -1.13 . . . . 0.0 109.497 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 2.6 m -58.51 -27.05 64.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.883 -1.136 . . . . 0.0 108.667 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 15' ' ' HIS . . . -94.15 0.23 66.28 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -63.1 -46.16 88.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.942 -1.329 . . . . 0.0 108.567 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' B' ' 22' ' ' GLY . 0.0 OUTLIER -160.66 153.54 21.24 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' B' ' 21' ' ' GLU . . . 117.92 -170.82 13.75 Favored Glycine 0 N--CA 1.498 2.826 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -47.31 -69.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 0.0 109.406 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.433 ' H ' ' H ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -169.76 -9.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 108.951 179.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.433 ' H ' ' H ' ' B' ' 24' ' ' LYS . 2.7 t60 -168.28 61.84 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.437 -1.414 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -137.01 147.31 46.17 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.424 HD22 ' CD1' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -99.07 128.62 45.24 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.259 -0.901 . . . . 0.0 110.675 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -110.96 161.21 16.08 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.05 -42.02 17.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.08 -1.012 . . . . 0.0 109.088 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -18.78 4.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.355 -0.841 . . . . 0.0 109.046 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' B' ' 35' ' ' LEU . 56.0 mt-10 -99.83 -35.52 9.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.226 -0.921 . . . . 0.0 108.678 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -55.64 11.68 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.352 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -68.18 -33.8 75.12 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.977 -1.077 . . . . 0.0 109.752 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.47 -32.9 54.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.019 -1.051 . . . . 0.0 109.811 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 18.7 tp -69.9 -35.88 74.95 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.444 HD13 HD12 ' B' ' 47' ' ' ILE . 73.9 mt -69.21 -40.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.605 -0.684 . . . . 0.0 110.358 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 47' ' ' ILE . 69.2 m-80 -82.43 -24.62 34.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.007 -1.058 . . . . 0.0 111.505 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -91.15 -45.46 8.65 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 120.709 -1.244 . . . . 0.0 112.502 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.571 ' C ' ' H ' ' B' ' 41' ' ' SER . 32.0 tt0 -110.24 -60.17 1.84 Allowed 'General case' 0 N--CA 1.509 2.477 0 O-C-N 120.835 -1.166 . . . . 0.0 110.266 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' B' ' 40' ' ' LEU . 1.2 mm? -71.59 28.83 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.953 -1.092 . . . . 0.0 108.382 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.571 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.1 OUTLIER -87.78 -17.0 32.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 110.065 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' B' ' 43' ' ' PHE . 1.3 p80 -89.57 -27.09 20.48 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.944 -1.097 . . . . 0.0 109.605 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.426 ' N ' ' ND1' ' B' ' 42' ' ' HIS . 2.2 m-85 -106.92 -47.11 3.78 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' B' ' 44' ' ' LEU . 7.9 tp -87.15 135.16 33.4 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.956 -1.09 . . . . 0.0 108.803 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' B' ' 47' ' ' ILE . 83.8 mt-10 -50.26 135.43 21.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.323 -0.861 . . . . 0.0 110.132 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' B' ' 46' ' ' GLU . 9.9 mp0 -54.64 82.72 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.583 -0.698 . . . . 0.0 109.85 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.543 ' N ' ' O ' ' B' ' 45' ' ' GLU . 7.8 mt -59.26 125.53 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.201 -0.937 . . . . 0.0 108.962 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -115.71 -15.35 11.36 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -105.15 149.87 25.53 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 53' ' ' VAL . 21.3 mt-30 -86.72 -26.24 24.33 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.159 -0.963 . . . . 0.0 109.453 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 50' ' ' GLN . 58.6 mm-40 -41.95 -39.4 1.86 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.531 -0.73 . . . . 0.0 110.86 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.12 -38.59 42.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.69 -23.87 31.92 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' B' ' 50' ' ' GLN . 84.2 m-20 -77.46 -35.44 53.86 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -81.97 -44.29 16.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.516 -0.74 . . . . 0.0 109.245 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.85 -37.35 59.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.508 -1.37 . . . . 0.0 107.426 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.45 -26.05 68.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.294 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -75.0 -30.69 61.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.141 -0.975 . . . . 0.0 109.508 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -88.12 -30.05 20.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.282 -0.886 . . . . 0.0 109.342 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.404 HD11 ' O ' ' B' ' 72' ' ' GLU . 46.4 tp -88.83 -53.31 4.67 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' B' ' 65' ' ' ASP . 60.7 t0 -56.06 105.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.682 -1.261 . . . . 0.0 109.584 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -90.42 -43.77 10.07 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 63' ' ' ASP . 0.4 OUTLIER -76.16 -4.82 43.75 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.091 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.46 95.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 108.37 -1.892 . . . . 0.0 108.37 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' B' ' 61' ' ' ASP . 44.9 p30 -97.95 -6.3 32.45 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.328 -1.101 . . . . 0.0 109.996 -179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.3 8.38 83.51 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -137.97 172.82 12.37 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 69' ' ' ASP . 13.9 m -122.28 93.34 3.95 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.319 -0.863 . . . . 0.0 110.598 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' B' ' 68' ' ' CYS . 0.8 OUTLIER -52.16 -176.76 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.653 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.81 -29.62 61.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.315 -1.491 . . . . 0.0 110.785 -179.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -66.12 -47.84 72.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.15 -0.969 . . . . 0.0 111.605 -177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 4.4 pt-20 -87.96 -31.07 19.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.337 -1.477 . . . . 0.0 109.094 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' B' ' 14' ' ' PHE . 1.7 t80 -52.82 -48.41 66.97 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.512 -1.367 . . . . 0.0 107.905 178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -46.57 68.83 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.34 -18.26 1.52 Allowed 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.997 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' B' ' 80' ' ' VAL . 84.9 t80 -67.7 -56.03 10.87 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.478 -1.305 . . . . 0.0 107.478 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' B' ' 81' ' ' THR . 58.0 t -54.19 -29.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-O 121.989 0.899 . . . . 0.0 108.7 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.615 ' O ' HG23 ' B' ' 82' ' ' THR . 7.2 t -69.48 -34.09 73.85 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.374 -0.829 . . . . 0.0 109.917 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtp -77.59 -29.55 52.05 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.459 -0.775 . . . . 0.0 110.034 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.422 HG11 ' CE2' ' B' ' 76' ' ' PHE . 1.2 m -87.61 -32.39 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 77' ' ' VAL . 99.5 m -74.63 -35.51 62.89 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.648 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.6 p -69.04 -39.25 79.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.868 -1.145 . . . . 0.0 110.086 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.7 -39.7 77.82 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 55.2 m -65.45 -17.08 64.27 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 119.464 -0.895 . . . . 0.0 108.864 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -105.17 -35.49 7.57 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 109.819 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 82' ' ' THR . 19.7 tt0 -69.39 -35.64 75.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.049 -1.032 . . . . 0.0 109.156 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.96 -42.47 63.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.394 -0.816 . . . . 0.0 109.128 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -69.61 -8.0 43.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.079 -1.013 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -99.93 -9.22 23.04 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -62.37 101.38 0.23 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.775 -1.203 . . . . 0.0 109.19 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.482 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -83.83 97.11 9.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.137 -0.977 . . . . 0.0 109.206 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -63.39 -34.54 77.96 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.745 -0.597 . . . . 0.0 110.346 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.89 -22.68 64.17 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.087 -1.008 . . . . 0.0 111.054 -178.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -73.31 -35.28 66.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.755 -1.216 . . . . 0.0 109.988 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -67.47 -45.5 75.75 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.083 -1.011 . . . . 0.0 109.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -64.45 -48.45 75.23 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.278 -0.889 . . . . 0.0 109.45 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.455 ' HG3' HG23 ' B' ' 81' ' ' THR . 53.5 ttm -59.77 -35.89 75.55 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.461 -0.774 . . . . 0.0 110.243 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.21 -40.91 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.873 -1.142 . . . . 0.0 108.773 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.59 74.16 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.515 -0.741 . . . . 0.0 109.812 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD13 ' CE ' ' A' ' 74' ' ' MET . 1.2 mt -78.63 -46.7 18.63 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.874 -1.141 . . . . 0.0 109.936 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -45.74 -30.45 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.09 -1.006 . . . . 0.0 109.093 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.19 -50.86 17.43 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.322 -0.861 . . . . 0.0 108.796 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.23 -26.94 21.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' A' ' 73' ' ' PHE . 1.5 m-85 -71.23 -49.18 46.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.953 -1.092 . . . . 0.0 110.002 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' ND1' ' CE1' ' B' ' 85' ' ' HIS . 0.1 OUTLIER -76.31 -32.23 58.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.92 -1.112 . . . . 0.0 110.353 -178.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.75 -41.81 82.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.025 -1.047 . . . . 0.0 110.551 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -86.12 -58.09 2.77 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.836 -1.165 . . . . 0.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.62 -27.04 4.12 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.911 -1.118 . . . . 0.0 108.976 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.23 3.33 54.79 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -58.65 -42.74 89.08 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.575 -1.544 . . . . 0.0 108.981 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.09 171.1 9.83 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.694 -0.802 . . . . 0.0 109.783 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.77 -125.04 7.11 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -80.44 -167.59 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.221 -1.164 . . . . 0.0 109.63 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -88.68 -14.88 36.26 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.29 -0.881 . . . . 0.0 110.529 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.8 66.51 0.12 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.492 -1.38 . . . . 0.0 111.103 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -143.48 149.89 38.18 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.2 tt -95.89 123.68 39.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.197 -0.939 . . . . 0.0 110.641 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 156.84 20.85 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' NZ ' ' SD ' ' A' ' 57' ' ' MET . 16.6 mttm -47.78 -45.56 29.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.708 -1.245 . . . . 0.0 109.725 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 m -50.71 -17.98 0.63 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.008 . . . . 0.0 109.108 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 35' ' ' LEU . 78.3 mt-10 -101.53 -39.27 7.59 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -49.61 68.6 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.215 -0.928 . . . . 0.0 109.145 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HA ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.69 -37.03 79.26 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.044 -1.035 . . . . 0.0 108.612 179.24 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.54 -30.93 53.02 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.767 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 31' ' ' GLU . 21.8 tp -70.37 -37.58 74.58 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -69.05 -39.39 79.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 109.772 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' N ' HD22 ' A' ' 37' ' ' ASN . 1.7 m120 -79.02 -22.78 44.95 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.377 -0.827 . . . . 0.0 110.938 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -95.35 -20.14 19.37 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.794 -1.191 . . . . 0.0 112.789 -177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -129.99 -53.26 1.13 Allowed 'General case' 0 N--CA 1.508 2.464 0 O-C-N 120.75 -1.219 . . . . 0.0 110.379 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.76 ' N ' HD22 ' A' ' 40' ' ' LEU . 1.6 mm? -85.89 31.44 0.62 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.012 -1.055 . . . . 0.0 108.657 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 p -83.18 -19.63 36.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.997 -1.064 . . . . 0.0 108.697 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.69 -21.97 28.08 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -107.2 -49.6 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -101.08 131.06 47.17 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.233 -0.917 . . . . 0.0 109.387 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.07 145.65 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 109.482 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 53.3 mp0 -62.57 107.09 0.87 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.267 -0.896 . . . . 0.0 109.572 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 33' ' ' LYS . 4.0 pt -67.85 126.16 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.597 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -100.45 -13.44 18.7 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -119.2 120.55 37.4 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' VAL . 12.0 pt20 -59.54 -19.81 51.07 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.904 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' GLN . 73.3 mt-10 -41.33 -42.03 2.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.996 -1.065 . . . . 0.0 111.445 -178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.62 -35.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.759 -1.213 . . . . 0.0 108.024 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -66.26 -23.83 32.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -78.42 -35.93 46.35 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -74.66 -53.56 9.09 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.241 179.279 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.26 -38.61 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 66' ' ' GLY . 33.9 ttm -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' LYS . 10.3 tm-20 -74.29 -37.61 63.62 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.2 m -76.91 -31.66 56.86 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.642 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 4.5 mm? -90.57 -45.64 8.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.158 -0.964 . . . . 0.0 110.469 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 64' ' ' GLY . 62.8 t0 -56.13 98.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.509 -1.369 . . . . 0.0 109.533 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -90.44 -37.5 13.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 p-10 -80.55 -4.85 55.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . 65.76 45.67 87.5 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 67' ' ' GLU . 23.2 p30 -99.61 -5.87 28.3 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.496 -1.003 . . . . 0.0 109.912 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.502 ' O ' ' SD ' ' A' ' 57' ' ' MET . . . 69.19 0.57 22.27 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.053 -2.019 . . . . 0.0 108.053 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 65' ' ' ASP . 98.7 mt-10 -128.26 173.56 10.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.513 ' O ' ' O ' ' A' ' 69' ' ' ASP . 2.6 m -127.05 94.24 3.97 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.222 -0.924 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.0 p-10 -50.73 -171.63 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.0 -30.49 44.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.607 -1.308 . . . . 0.0 111.461 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -75.65 -36.5 60.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.939 -1.101 . . . . 0.0 110.049 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 11.9 tt0 -85.57 -37.32 19.72 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.999 -1.063 . . . . 0.0 108.351 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 1.2 t80 -52.83 -46.74 67.88 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 108.703 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.408 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.19 -43.64 78.66 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 178.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -52.49 -19.89 2.54 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.485 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -73.65 -55.26 6.51 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.828 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.95 -28.6 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 82' ' ' THR . 7.2 t -67.1 -34.54 77.86 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.8 -34.2 60.17 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.811 -0.556 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -31.77 7.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' A' ' 84' ' ' CYS . 55.1 m -73.24 -35.12 66.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -75.15 -36.44 61.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.999 -1.063 . . . . 0.0 111.172 -178.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.08 -45.85 91.69 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.447 -1.408 . . . . 0.0 108.525 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 81' ' ' THR . 23.3 p -66.32 -10.51 43.48 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.198 -1.001 . . . . 0.0 108.532 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' CE1' ' ND1' ' B' ' 15' ' ' HIS . 49.2 t60 -98.54 -38.08 9.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.455 -0.778 . . . . 0.0 109.341 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.63 -50.49 57.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.227 -0.921 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.24 -43.22 78.45 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 108.889 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.76 -28.68 69.62 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.432 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -88.97 -2.52 58.63 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.216 -0.927 . . . . 0.0 109.801 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.89 101.53 0.67 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.033 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.528 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 15.8 mmt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.257 0.551 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -83.9 97.21 9.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.115 -0.991 . . . . 0.0 109.256 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -63.44 -34.4 77.66 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.811 -0.555 . . . . 0.0 110.35 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.456 ' O ' HD13 ' B' ' 3' ' ' LEU . 0.2 OUTLIER -69.07 -22.59 64.0 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.138 -0.976 . . . . 0.0 111.107 -178.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -73.48 -35.21 65.65 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.65 -1.281 . . . . 0.0 109.969 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.37 -45.53 76.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.162 -0.961 . . . . 0.0 109.01 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 10' ' ' LEU . . . -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.298 -0.876 . . . . 0.0 109.665 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.439 ' HG3' HG23 ' A' ' 81' ' ' THR . 52.9 ttm -60.1 -35.88 76.18 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.615 -0.678 . . . . 0.0 110.194 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.12 -40.9 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 120.827 -1.171 . . . . 0.0 108.809 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.72 74.32 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.418 HD13 ' CE ' ' B' ' 74' ' ' MET . 1.1 mt -78.57 -46.67 18.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.855 -1.153 . . . . 0.0 109.963 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mm -45.75 -30.46 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.101 -0.999 . . . . 0.0 108.994 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -74.1 -50.98 17.11 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.221 -0.925 . . . . 0.0 108.821 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 t -74.13 -26.99 21.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.255 -0.903 . . . . 0.0 109.394 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' B' ' 73' ' ' PHE . 1.5 m-85 -71.19 -49.15 46.77 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.929 -1.107 . . . . 0.0 110.081 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.447 ' ND1' ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.45 -32.14 58.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.987 -1.071 . . . . 0.0 110.313 -178.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -67.81 -41.85 82.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.997 -1.065 . . . . 0.0 110.535 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -86.18 -57.96 2.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.955 -1.091 . . . . 0.0 109.845 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -49.72 -27.01 4.27 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.943 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.12 3.1 55.1 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -58.64 -42.7 88.95 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.603 -1.527 . . . . 0.0 109.002 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -168.05 171.01 9.95 Favored 'General case' 0 C--N 1.297 -1.704 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.826 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.02 -125.11 7.18 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 23' ' ' ASP . 0.5 OUTLIER -80.43 -167.39 1.32 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.335 -1.097 . . . . 0.0 109.592 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -88.92 -14.95 35.54 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.34 -0.85 . . . . 0.0 110.435 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -165.64 66.57 0.12 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.607 -1.308 . . . . 0.0 111.017 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -143.55 149.88 38.07 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.2 tt -95.9 123.58 39.55 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.212 -0.93 . . . . 0.0 110.613 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 156.9 20.64 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' NZ ' ' SD ' ' B' ' 57' ' ' MET . 16.6 mttm -47.93 -45.39 30.94 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.63 -1.294 . . . . 0.0 109.709 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -50.78 -17.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.056 -1.027 . . . . 0.0 109.08 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 35' ' ' LEU . 77.9 mt-10 -101.62 -39.47 7.46 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' B' ' 36' ' ' ILE . 0.9 OUTLIER -65.34 -49.34 69.78 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.252 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.458 ' HA ' HD11 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -68.97 -36.95 78.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.982 -1.074 . . . . 0.0 108.617 179.193 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.51 -30.88 53.16 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.793 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' GLU . 22.1 tp -70.36 -37.6 74.62 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' B' ' 32' ' ' LEU . 73.9 mt -69.14 -39.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 O-C-N 121.526 -0.734 . . . . 0.0 109.726 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.549 ' N ' HD22 ' B' ' 37' ' ' ASN . 1.7 m120 -79.15 -22.72 44.66 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.385 -0.822 . . . . 0.0 110.923 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -95.41 -20.07 19.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.757 -1.215 . . . . 0.0 112.823 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -129.96 -53.26 1.13 Allowed 'General case' 0 N--CA 1.509 2.511 0 O-C-N 120.62 -1.3 . . . . 0.0 110.406 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.759 HD22 ' N ' ' B' ' 40' ' ' LEU . 1.6 mm? -85.89 31.56 0.62 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.079 -1.013 . . . . 0.0 108.596 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -83.25 -19.91 35.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.993 -1.067 . . . . 0.0 108.645 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -85.64 -21.86 28.22 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -107.25 -49.46 3.26 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mp -101.29 130.88 47.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.35 -0.844 . . . . 0.0 109.382 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.11 145.67 25.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' B' ' 46' ' ' GLU . 52.9 mp0 -62.46 107.13 0.87 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.196 -0.94 . . . . 0.0 109.576 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' B' ' 33' ' ' LYS . 3.7 pt -67.84 125.97 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 118.978 -1.089 . . . . 0.0 108.594 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -100.33 -13.51 18.78 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -119.18 120.55 37.41 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' B' ' 53' ' ' VAL . 12.3 pt20 -59.62 -19.69 50.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.25 -0.906 . . . . 0.0 109.958 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -41.32 -42.02 2.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.081 -1.012 . . . . 0.0 111.38 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 p -75.67 -35.92 32.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.735 -1.228 . . . . 0.0 107.997 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -66.15 -24.0 32.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 178.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.41 -35.95 46.38 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -53.81 8.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.482 -0.761 . . . . 0.0 109.104 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -54.21 -38.62 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 66' ' ' GLY . 33.6 ttm -61.04 -24.66 66.36 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -74.31 -37.42 63.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.348 -0.845 . . . . 0.0 108.758 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 96.3 m -76.95 -31.73 56.8 Favored 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.591 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' O ' ' OE1' ' B' ' 72' ' ' GLU . 4.5 mm? -90.58 -45.57 8.84 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.106 -0.996 . . . . 0.0 110.401 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' B' ' 64' ' ' GLY . 62.9 t0 -56.26 98.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.505 -1.372 . . . . 0.0 109.562 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -90.22 -37.63 14.0 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' B' ' 63' ' ' ASP . 31.8 p-10 -80.57 -4.91 55.83 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.102 -1.074 . . . . 0.0 108.102 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' B' ' 61' ' ' ASP . . . 65.91 45.65 86.77 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' B' ' 67' ' ' GLU . 22.8 p30 -99.61 -5.97 28.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.408 -1.054 . . . . 0.0 109.956 -178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.498 ' O ' ' SD ' ' B' ' 57' ' ' MET . . . 69.27 0.67 23.43 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.013 -2.035 . . . . 0.0 108.013 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' B' ' 65' ' ' ASP . 98.7 mt-10 -128.36 173.58 10.06 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.517 ' O ' ' O ' ' B' ' 69' ' ' ASP . 2.8 m -127.06 94.11 3.93 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.259 -0.901 . . . . 0.0 110.214 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.517 ' O ' ' O ' ' B' ' 68' ' ' CYS . 2.0 p-10 -50.65 -171.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -78.92 -30.53 44.8 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.641 -1.287 . . . . 0.0 111.362 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -75.75 -36.52 59.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.944 -1.098 . . . . 0.0 109.97 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.542 ' O ' ' HB3' ' B' ' 75' ' ' ALA . 11.7 tt0 -85.5 -37.25 19.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.092 -1.005 . . . . 0.0 108.349 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.557 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 1.2 t80 -53.01 -46.59 68.45 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.177 -0.952 . . . . 0.0 108.645 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.418 ' CE ' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -56.28 -43.65 79.03 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.581 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -52.52 -19.9 2.57 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.326 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -73.73 -55.17 6.58 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 118.734 -1.187 . . . . 0.0 108.878 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 63.2 t -54.86 -28.7 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.678 ' O ' HG23 ' B' ' 82' ' ' THR . 7.0 t -67.0 -34.57 78.04 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.9 ttt -75.73 -34.31 60.31 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.842 -0.536 . . . . 0.0 109.964 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.22 -31.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 84' ' ' CYS . 54.8 m -73.53 -34.92 65.45 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.678 HG23 ' O ' ' B' ' 78' ' ' SER . 17.9 p -75.22 -36.33 61.36 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.997 -1.064 . . . . 0.0 111.209 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.8 91.63 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 120.254 -1.529 . . . . 0.0 108.515 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 81' ' ' THR . 23.2 p -66.23 -10.65 44.01 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 119.141 -1.023 . . . . 0.0 108.517 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.439 ' CE1' ' ND1' ' A' ' 15' ' ' HIS . 49.0 t60 -98.36 -38.17 9.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 109.377 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.66 -50.26 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.324 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.37 -43.24 79.0 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.204 -0.935 . . . . 0.0 108.849 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.79 -28.57 69.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.432 -0.792 . . . . 0.0 109.497 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -89.05 -2.55 58.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.266 -0.896 . . . . 0.0 109.843 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -65.91 101.52 0.67 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.006 -1.059 . . . . 0.0 109.029 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.502 -179.691 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.527 0.679 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m -94.09 76.1 4.07 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -48.8 -33.14 9.86 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD23 HG21 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -68.51 -19.89 64.55 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 109.941 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -73.25 -27.34 61.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.768 -1.208 . . . . 0.0 107.836 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 22.3 mmtt -68.12 -47.0 69.33 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.33 -54.83 26.81 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.484 0.659 . . . . 0.0 109.931 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.1 mtt -49.91 -39.91 41.55 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.265 -0.897 . . . . 0.0 110.09 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.28 -39.17 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 109.712 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.05 -30.94 71.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.285 -0.885 . . . . 0.0 109.484 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' PHE . 8.4 mp -79.97 -48.75 12.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.021 -1.05 . . . . 0.0 110.215 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.6 mt -45.73 -38.89 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.128 -0.983 . . . . 0.0 109.476 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.04 -51.37 47.58 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.218 -0.926 . . . . 0.0 109.502 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG21 HD23 ' B' ' 3' ' ' LEU . 91.0 t -74.49 -26.89 20.54 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 121.414 -0.804 . . . . 0.0 110.151 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 m-85 -72.63 -45.9 56.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.093 . . . . 0.0 109.983 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -75.71 -32.7 60.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.897 -1.127 . . . . 0.0 110.393 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.91 -40.44 91.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.754 -1.216 . . . . 0.0 109.653 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 29.0 m-85 -90.35 -58.2 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.961 -1.087 . . . . 0.0 109.346 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 26' ' ' LYS . 2.2 t -55.71 -26.19 43.98 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.112 -0.992 . . . . 0.0 108.85 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.63 -1.06 62.21 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -64.36 -45.26 88.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.826 -1.397 . . . . 0.0 108.892 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.86 162.63 23.72 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.435 -0.791 . . . . 0.0 109.297 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' LYS . . . 105.65 -143.24 15.67 Favored Glycine 0 N--CA 1.5 2.928 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 25' ' ' HIS . 26.1 t0 -78.43 29.98 0.19 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.259 -1.142 . . . . 0.0 109.385 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 4.2 tmtp? 66.24 -12.44 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.353 -0.842 . . . . 0.0 109.325 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 23' ' ' ASP . 30.2 m-70 -152.14 47.98 0.77 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.864 -1.148 . . . . 0.0 109.751 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 18' ' ' SER . 27.8 ttmt -141.18 148.71 40.42 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 73' ' ' PHE . 1.3 mp -95.28 130.33 42.08 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.111 -0.993 . . . . 0.0 110.806 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -110.9 159.52 17.62 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 176.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -45.76 -47.81 15.44 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.854 -1.153 . . . . 0.0 109.804 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 m -51.9 -19.99 2.05 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 58.0 mt-10 -97.8 -28.94 13.64 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.234 -0.916 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' HD11 ' A' ' 36' ' ' ILE . 0.9 OUTLIER -79.37 -53.57 6.78 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.181 -0.95 . . . . 0.0 109.649 -179.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -67.96 -35.39 78.3 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 109.489 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -76.9 -31.53 56.79 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.035 -1.04 . . . . 0.0 109.746 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.5 tp -73.63 -33.92 64.77 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.962 -1.087 . . . . 0.0 108.598 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 32' ' ' LEU . 60.7 mt -67.16 -41.21 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.525 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -82.05 -22.93 36.14 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.247 -0.908 . . . . 0.0 111.41 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -88.96 -45.76 9.42 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.362 -1.462 . . . . 0.0 112.217 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.07 -46.64 3.86 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.9 -1.125 . . . . 0.0 110.675 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -87.42 32.22 0.72 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.937 -1.102 . . . . 0.0 109.779 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.69 -15.86 38.28 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.843 -1.161 . . . . 0.0 110.175 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -94.1 -30.35 14.7 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.08 -1.012 . . . . 0.0 110.262 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.99 -58.56 1.85 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.205 -0.935 . . . . 0.0 109.031 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD23 HG23 ' A' ' 36' ' ' ILE . 44.1 tp -79.94 138.42 37.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.0 108.716 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 47' ' ' ILE . 50.1 mt-10 -49.06 130.15 18.36 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.209 -0.932 . . . . 0.0 110.281 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.95 84.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 0.0 109.345 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.7 mt -55.36 129.49 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 108.797 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -115.36 -18.64 10.98 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.41 152.21 21.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.408 -0.807 . . . . 0.0 109.253 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 53' ' ' VAL . 2.8 pt20 -92.8 -29.3 16.07 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.06 -1.025 . . . . 0.0 110.396 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -44.92 -33.82 2.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.28 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.48 -37.43 44.31 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.78 -24.39 34.2 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.7 -34.1 52.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -78.88 -49.37 12.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.585 -0.697 . . . . 0.0 109.572 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 57' ' ' MET . 1.3 p -53.18 -40.22 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.736 -1.227 . . . . 0.0 108.06 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 68' ' ' CYS . 4.7 mmm -59.38 -31.95 69.69 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -65.21 -36.95 85.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.307 -0.871 . . . . 0.0 109.155 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -81.27 -32.21 33.36 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.401 -0.812 . . . . 0.0 109.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 60' ' ' LEU . 4.4 mm? -94.2 -48.33 6.24 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.258 -0.901 . . . . 0.0 111.242 -178.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' MET . 47.7 t0 -56.02 104.12 0.13 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.227 -1.546 . . . . 0.0 109.197 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' CD ' HE22 ' A' ' 71' ' ' GLN . 10.3 pt-20 -90.98 -44.34 9.39 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p30 -75.21 -3.75 34.88 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.15 44.86 94.62 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.946 -2.062 . . . . 0.0 107.946 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -96.2 -3.76 43.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.582 -0.952 . . . . 0.0 109.196 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.46 0.31 62.22 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.007 -2.037 . . . . 0.0 108.007 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -125.2 170.56 11.13 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 57' ' ' MET . 65.7 m -122.96 91.49 3.5 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.437 -0.79 . . . . 0.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 70' ' ' PHE . 34.0 t0 -49.76 178.46 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.699 ' CD1' HG21 ' B' ' 82' ' ' THR . 0.5 OUTLIER -72.56 -29.3 63.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.055 . . . . 0.0 111.02 -179.314 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.521 HE22 ' CD ' ' A' ' 62' ' ' GLU . 2.0 pp0? -73.36 -37.86 65.9 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.747 -1.22 . . . . 0.0 111.275 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 5.9 pt-20 -89.52 -35.36 15.98 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.381 -1.449 . . . . 0.0 108.312 178.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CD1' HD22 ' A' ' 27' ' ' LEU . 1.3 t80 -51.31 -45.29 62.16 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.478 ' SD ' ' O ' ' B' ' 74' ' ' MET . 0.5 OUTLIER -60.5 -45.14 94.85 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.31 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -51.57 -20.26 1.87 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.468 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.85 -51.1 13.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.053 -1.029 . . . . 0.0 108.733 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.413 HG21 HD11 ' B' ' 3' ' ' LEU . 39.5 t -56.47 -37.3 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.152 -0.968 . . . . 0.0 109.003 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -67.03 -31.05 71.33 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.284 -0.885 . . . . 0.0 109.117 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.413 ' HA ' ' HG1' ' A' ' 82' ' ' THR . 2.0 ttp -71.54 -26.23 62.55 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.1 t -86.52 -34.94 8.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -72.99 -35.59 66.89 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.673 HG21 ' CD1' ' B' ' 70' ' ' PHE . 13.2 p -65.05 -40.35 94.64 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.573 -178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.9 92.72 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.956 -1.09 . . . . 0.0 108.546 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 40.5 t -66.85 -17.72 65.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -103.45 -35.54 8.31 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.538 -0.726 . . . . 0.0 109.527 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -76.7 -46.01 27.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.336 -0.853 . . . . 0.0 111.15 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -65.27 -41.48 94.19 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.905 -1.122 . . . . 0.0 110.055 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -86.16 18.82 2.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.952 -1.093 . . . . 0.0 109.752 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -84.8 -114.44 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.185 -0.947 . . . . 0.0 108.998 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -71.15 99.55 1.89 Allowed 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.971 -1.081 . . . . 0.0 109.501 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.465 179.767 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 21.9 mmt . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.468 0.651 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m -94.07 75.9 4.09 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.362 -0.836 . . . . 0.0 109.798 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -48.49 -33.88 10.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.463 -0.773 . . . . 0.0 109.162 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.436 HD23 HG21 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -68.2 -19.75 64.79 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.166 -0.959 . . . . 0.0 109.752 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -73.18 -27.7 61.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.699 -1.25 . . . . 0.0 107.993 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -67.93 -47.11 69.63 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.82 -54.26 33.99 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 121.239 0.542 . . . . 0.0 110.098 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 30.5 mtt -50.33 -39.41 46.04 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.419 -0.912 . . . . 0.0 109.945 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.1 t -79.19 -38.65 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.982 -1.073 . . . . 0.0 109.577 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.14 -30.33 70.8 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.216 -0.927 . . . . 0.0 109.536 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' PHE . 8.1 mp -79.77 -48.87 12.89 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.165 -0.959 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mt -46.12 -38.54 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.97 -1.081 . . . . 0.0 109.494 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -68.31 -51.13 48.17 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.452 HG21 HD23 ' A' ' 3' ' ' LEU . 96.3 t -74.62 -26.81 20.22 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 110.191 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' LEU . 2.7 m-85 -72.6 -46.15 55.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.022 -1.049 . . . . 0.0 110.063 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -75.21 -32.59 61.22 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.068 -1.02 . . . . 0.0 110.47 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -66.22 -40.9 90.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.806 -1.184 . . . . 0.0 109.624 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.434 ' O ' ' OE1' ' B' ' 31' ' ' GLU . 28.9 m-85 -90.22 -58.03 2.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.921 -1.112 . . . . 0.0 109.354 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.431 ' OG ' ' N ' ' B' ' 26' ' ' LYS . 2.8 t -56.01 -26.48 48.91 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.916 -1.115 . . . . 0.0 108.926 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.65 -0.48 62.52 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -64.23 -45.62 87.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.839 -1.389 . . . . 0.0 108.641 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.21 161.48 22.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.527 -0.733 . . . . 0.0 109.292 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' B' ' 24' ' ' LYS . . . 107.47 -143.33 15.91 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' B' ' 25' ' ' HIS . 26.2 t0 -78.58 29.05 0.19 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.269 -1.136 . . . . 0.0 109.44 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' B' ' 22' ' ' GLY . 3.8 tmtp? 67.14 -12.07 0.25 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 109.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 23' ' ' ASP . 33.6 m-70 -152.26 47.93 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.949 -1.094 . . . . 0.0 109.499 179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' B' ' 18' ' ' SER . 27.7 ttmt -141.34 148.95 40.51 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' B' ' 73' ' ' PHE . 1.1 mp -95.79 129.95 42.86 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.041 -1.037 . . . . 0.0 110.761 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -110.59 159.03 17.93 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 28' ' ' LYS . 37.6 mttm -45.44 -47.85 13.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.815 -1.178 . . . . 0.0 109.577 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.3 m -52.16 -19.81 2.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.159 -0.963 . . . . 0.0 109.113 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 28' ' ' LYS . 60.6 mt-10 -97.82 -28.24 13.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.121 -0.987 . . . . 0.0 109.283 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.79 -54.21 6.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.251 -0.906 . . . . 0.0 109.603 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.0 -1.063 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.07 -31.34 55.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.941 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.81 -34.54 64.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.93 -1.106 . . . . 0.0 108.589 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.501 HD11 ' CD2' ' B' ' 32' ' ' LEU . 65.3 mt -66.37 -41.41 88.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.554 -0.716 . . . . 0.0 109.449 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -81.94 -23.28 36.23 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.406 -0.809 . . . . 0.0 111.528 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -88.86 -45.64 9.57 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.388 -1.445 . . . . 0.0 112.232 -177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -106.97 -46.8 3.84 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.917 -1.115 . . . . 0.0 110.793 -178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 31.58 0.72 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.959 -1.088 . . . . 0.0 109.845 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -15.96 39.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.975 -1.078 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -94.31 -31.05 14.22 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.933 -1.104 . . . . 0.0 110.115 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -102.01 -59.06 1.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.071 -1.018 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.49 HD23 HG23 ' B' ' 36' ' ' ILE . 51.5 tp -79.58 138.84 37.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.019 -1.051 . . . . 0.0 108.688 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 47' ' ' ILE . 47.6 mt-10 -49.07 130.12 18.36 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.065 -1.022 . . . . 0.0 110.374 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.37 84.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.146 -0.972 . . . . 0.0 109.477 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' B' ' 45' ' ' GLU . 5.5 mt -55.64 129.12 16.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -115.32 -18.06 11.15 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.68 151.97 21.39 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.739 . . . . 0.0 109.26 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' B' ' 53' ' ' VAL . 3.2 pt20 -92.71 -29.19 16.19 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.212 -0.93 . . . . 0.0 110.329 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -45.34 -33.53 2.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 110.112 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 53' ' ' VAL . 27.5 m -74.57 -37.79 44.45 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' GLN . 0.4 OUTLIER -65.71 -23.83 33.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -78.5 -33.72 47.95 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -79.23 -49.34 12.66 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.445 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.37 -40.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.773 -1.205 . . . . 0.0 108.162 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.576 ' SD ' ' SG ' ' B' ' 68' ' ' CYS . 4.8 mmm -59.68 -31.48 69.6 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.16 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -65.26 -36.29 83.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 0.0 109.085 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 16.9 m -82.04 -31.58 30.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.44 -0.787 . . . . 0.0 109.754 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.435 HD22 ' N ' ' B' ' 60' ' ' LEU . 4.4 mm? -94.61 -48.64 5.99 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.275 -0.891 . . . . 0.0 111.35 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 57' ' ' MET . 48.2 t0 -55.77 104.2 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.251 -1.53 . . . . 0.0 109.107 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.571 ' CD ' HE22 ' B' ' 71' ' ' GLN . 10.0 pt-20 -90.91 -44.55 9.3 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.45 ' N ' ' CG ' ' B' ' 62' ' ' GLU . 1.3 p30 -74.61 -4.88 39.75 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.98 44.99 95.83 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -96.28 -3.8 43.36 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.575 -0.956 . . . . 0.0 109.218 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.83 -0.09 62.78 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.895 -2.082 . . . . 0.0 107.895 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.03 169.88 11.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.576 ' SG ' ' SD ' ' B' ' 57' ' ' MET . 63.3 m -122.15 91.79 3.58 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 109.984 -179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 70' ' ' PHE . 32.2 t0 -49.99 179.16 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.673 ' CD1' HG21 ' A' ' 82' ' ' THR . 0.5 OUTLIER -73.21 -29.0 62.5 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.12 -0.988 . . . . 0.0 110.852 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.571 HE22 ' CD ' ' B' ' 62' ' ' GLU . 1.9 pp0? -73.8 -38.12 64.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.955 -1.091 . . . . 0.0 110.932 -178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 5.2 pt-20 -89.19 -35.28 16.31 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.224 -1.547 . . . . 0.0 108.301 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' B' ' 27' ' ' LEU . 1.3 t80 -51.41 -45.27 62.5 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.478 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 178.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -51.66 -20.08 1.88 Allowed 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.565 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -75.91 -50.78 14.02 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.074 -1.016 . . . . 0.0 108.693 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.86 -36.96 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.12 -0.987 . . . . 0.0 109.085 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.648 ' O ' HG23 ' B' ' 82' ' ' THR . 0.2 OUTLIER -66.57 -31.72 72.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.248 -0.908 . . . . 0.0 109.154 -179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 1.6 ttp -70.9 -27.09 63.53 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.6 t -86.13 -34.78 8.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 5.3 m -73.29 -35.42 66.12 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.699 HG21 ' CD1' ' A' ' 70' ' ' PHE . 15.3 p -65.35 -40.55 93.77 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.678 -178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.2 90.19 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.893 -1.13 . . . . 0.0 108.546 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -68.03 -16.28 63.97 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.038 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -103.7 -36.15 7.98 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.434 -0.791 . . . . 0.0 109.439 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -76.64 -45.4 30.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 111.254 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -66.3 -40.82 90.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.822 -1.174 . . . . 0.0 109.98 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -86.14 18.57 3.04 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.075 . . . . 0.0 109.538 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.57 -114.63 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.211 -0.931 . . . . 0.0 109.097 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -70.98 99.57 1.81 Allowed 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.168 -0.958 . . . . 0.0 109.498 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.85 -1.071 . . . . 0.0 109.394 179.686 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 58.8 mtm . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.405 0.621 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.0 83.72 5.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.316 -0.865 . . . . 0.0 109.458 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.41 -32.77 40.66 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.66 -19.43 62.09 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.321 -0.862 . . . . 0.0 110.499 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -36.19 73.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.8 -1.187 . . . . 0.0 109.029 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.48 -47.33 49.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.506 -0.746 . . . . 0.0 109.585 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -56.13 25.91 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.306 -0.871 . . . . 0.0 110.604 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.459 ' SD ' ' CG2' ' B' ' 80' ' ' VAL . 13.1 mtm -53.2 -37.61 62.12 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.334 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 t -69.97 -48.67 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.0 109.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.22 -35.35 64.81 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 110.193 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' PHE . 6.8 mp -79.35 -46.22 18.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.006 -1.059 . . . . 0.0 110.94 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.0 mm -44.64 -48.61 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.509 -1.369 . . . . 0.0 109.822 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.11 -48.35 73.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.005 -1.06 . . . . 0.0 109.561 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 t -70.93 -26.74 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.317 -0.865 . . . . 0.0 109.645 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 33.9 t80 -72.37 -50.7 24.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.365 -0.835 . . . . 0.0 109.564 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -30.68 59.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -0.885 . . . . 0.0 110.36 -178.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.17 -45.69 83.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.001 -1.062 . . . . 0.0 110.104 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -84.91 -55.56 4.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.962 -1.086 . . . . 0.0 109.301 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 14' ' ' PHE . 44.0 p -52.9 -27.47 18.8 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.029 -1.044 . . . . 0.0 108.437 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.32 3.87 61.91 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 34' ' ' GLU . 44.3 ttt85 -63.41 -44.32 94.96 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.73 -1.453 . . . . 0.0 109.336 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.1 170.87 19.58 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.192 -1.003 . . . . 0.0 111.665 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.51 -175.46 2.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -44.41 105.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.665 -0.903 . . . . 0.0 109.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' C ' ' CG ' ' A' ' 25' ' ' HIS . 88.8 mttt -52.54 169.06 0.09 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.421 -0.799 . . . . 0.0 109.887 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 24' ' ' LYS . 8.2 m-70 69.12 3.78 4.24 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.5 -0.75 . . . . 0.0 111.275 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.9 145.23 50.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.114 -0.991 . . . . 0.0 108.929 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 73' ' ' PHE . 4.4 tt -93.89 125.18 38.36 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.691 -0.631 . . . . 0.0 109.735 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 1.6 mtmp? -110.54 157.97 19.06 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.575 -0.703 . . . . 0.0 110.006 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 29' ' ' LYS . 3.9 ttpm? -48.96 -45.41 41.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.851 -1.156 . . . . 0.0 109.139 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -57.48 -20.25 29.69 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.137 -0.977 . . . . 0.0 108.613 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' LYS . 87.2 mt-10 -98.92 -26.05 14.4 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.2 -58.62 2.98 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -62.89 -36.17 82.44 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.925 -1.109 . . . . 0.0 109.566 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' A' ' 20' ' ' ARG . 82.7 tt0 -73.76 -30.52 62.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.973 -1.08 . . . . 0.0 109.37 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.1 tp -75.02 -34.71 61.93 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 HD12 ' A' ' 47' ' ' ILE . 1.8 mm -60.03 -45.87 94.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 CA-C-O 121.684 0.754 . . . . 0.0 109.451 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.24 -22.18 42.04 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.66 -0.65 . . . . 0.0 111.797 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.79 -43.98 7.98 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.754 -1.216 . . . . 0.0 112.97 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 41' ' ' SER . 4.9 tp10 -108.47 -63.48 1.33 Allowed 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.756 -1.215 . . . . 0.0 110.5 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.621 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -72.09 30.09 0.05 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.822 -1.174 . . . . 0.0 108.639 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.549 ' H ' ' C ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -92.08 -16.81 25.89 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.986 -1.071 . . . . 0.0 110.403 -179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -91.31 -22.87 20.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.707 -1.245 . . . . 0.0 110.144 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -111.15 -22.53 11.38 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.419 -0.801 . . . . 0.0 109.117 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -110.05 135.41 50.92 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -48.91 135.35 15.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.962 . . . . 0.0 109.45 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -56.32 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 110.196 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 36' ' ' ILE . 40.4 mt -70.73 124.39 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.308 -0.87 . . . . 0.0 108.76 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -111.12 -14.72 13.84 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 29.2 mp0 -109.6 133.66 52.85 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' VAL . 31.5 mt-30 -69.08 -19.79 64.07 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.149 -0.969 . . . . 0.0 109.489 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -40.59 -42.54 1.71 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.448 -0.782 . . . . 0.0 111.114 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.42 ' H ' HG23 ' A' ' 52' ' ' VAL . 2.1 t -71.52 -37.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.647 HG21 ' HB2' ' A' ' 33' ' ' LYS . 41.0 t -67.67 -23.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 60.0 m-20 -77.82 -34.8 51.83 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -84.7 -40.54 17.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.733 -0.604 . . . . 0.0 109.453 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -38.5 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.707 -1.246 . . . . 0.0 108.44 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.8 mtp -64.64 -33.24 75.47 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.385 -0.822 . . . . 0.0 108.824 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -68.46 -33.74 74.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.405 -0.81 . . . . 0.0 109.222 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.9 m -83.0 -28.09 29.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.387 -0.821 . . . . 0.0 109.731 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -97.0 -46.23 6.28 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 110.198 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' MET . 48.6 t0 -55.88 102.41 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.351 . . . . 0.0 108.798 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.05 -43.45 10.5 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 61' ' ' ASP . 5.8 p30 -76.06 -3.02 33.58 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.2 42.82 93.55 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -92.56 -5.63 51.28 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.546 -0.973 . . . . 0.0 109.215 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.57 2.83 90.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -135.29 169.52 17.35 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 69' ' ' ASP . 1.6 m -120.77 95.41 4.7 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.335 -0.853 . . . . 0.0 110.222 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 15.8 m-20 -54.05 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.622 ' CE2' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -68.88 -60.61 2.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.067 -1.021 . . . . 0.0 110.636 -179.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -44.6 -39.77 5.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.174 -0.954 . . . . 0.0 112.262 -177.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' A' ' 69' ' ' ASP . 4.4 pt-20 -90.43 -37.46 13.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.179 -1.576 . . . . 0.0 108.875 179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 27' ' ' LEU . 2.5 t80 -53.26 -44.33 68.12 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.577 -1.327 . . . . 0.0 108.054 178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -44.66 92.06 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -50.19 -21.18 1.23 Allowed 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.181 -1.008 . . . . 0.0 109.398 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -76.13 -49.77 16.45 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.954 -1.099 . . . . 0.0 108.336 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -55.96 -40.34 62.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 121.502 -0.749 . . . . 0.0 109.501 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.825 ' O ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -69.0 -24.67 64.25 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.7 ttt -73.16 -31.16 64.08 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' SD ' ' B' ' 7' ' ' MET . 0.8 OUTLIER -86.49 -33.01 6.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.287 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 m -65.4 -40.31 93.26 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 78' ' ' SER . 17.6 p -58.85 -42.47 89.42 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.073 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.59 82.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.689 -1.257 . . . . 0.0 108.105 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.36 -16.37 60.24 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.47 -34.76 10.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.387 -0.821 . . . . 0.0 108.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -76.52 -36.08 57.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.852 . . . . 0.0 109.547 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -65.65 -52.76 49.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 109.458 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -61.38 -50.44 72.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.343 -0.848 . . . . 0.0 109.525 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -83.03 26.23 0.63 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.259 -0.901 . . . . 0.0 109.44 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.52 100.57 1.12 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.108 -0.995 . . . . 0.0 109.217 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.165 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 59.1 mtm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.98 83.65 5.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.479 -0.763 . . . . 0.0 109.433 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.18 -32.95 38.44 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -71.7 -19.51 62.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.408 -0.808 . . . . 0.0 110.507 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 -35.98 73.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.695 -1.253 . . . . 0.0 108.992 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -72.61 -47.29 48.96 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.508 -0.745 . . . . 0.0 109.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.63 -56.32 23.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.357 -0.839 . . . . 0.0 110.583 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.449 ' SD ' ' CG2' ' A' ' 80' ' ' VAL . 12.9 mtm -53.09 -37.74 61.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.201 -0.937 . . . . 0.0 109.294 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.96 -48.56 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.225 -0.922 . . . . 0.0 109.047 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.43 -35.22 65.18 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.625 -0.672 . . . . 0.0 110.226 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' B' ' 14' ' ' PHE . 6.9 mp -79.37 -46.15 18.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.854 -1.154 . . . . 0.0 111.061 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -44.62 -48.72 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.487 -1.383 . . . . 0.0 109.847 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.0 -48.36 74.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -70.97 -26.67 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.236 -0.915 . . . . 0.0 109.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 33.7 t80 -72.52 -50.45 25.75 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.46 -0.775 . . . . 0.0 109.601 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -30.76 59.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 0.0 110.289 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -65.14 -45.65 84.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.016 -1.053 . . . . 0.0 110.098 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -85.04 -55.49 4.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.008 -1.057 . . . . 0.0 109.291 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' B' ' 14' ' ' PHE . 42.6 p -52.84 -27.45 18.35 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.049 -1.032 . . . . 0.0 108.469 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.43 3.93 61.75 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' B' ' 34' ' ' GLU . 44.2 ttt85 -63.48 -44.44 94.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.752 -1.44 . . . . 0.0 109.22 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -161.01 170.87 19.68 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 119.169 -1.012 . . . . 0.0 111.658 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.46 -175.48 2.47 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -44.34 105.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.706 -0.879 . . . . 0.0 109.916 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.42 ' C ' ' CG ' ' B' ' 25' ' ' HIS . 88.5 mttt -52.52 168.94 0.09 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.43 -0.794 . . . . 0.0 109.882 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.42 ' CG ' ' C ' ' B' ' 24' ' ' LYS . 8.3 m-70 69.2 3.71 4.23 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -126.78 145.16 50.72 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.116 -0.99 . . . . 0.0 108.966 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.564 ' CD1' ' CD1' ' B' ' 73' ' ' PHE . 4.4 tt -93.78 125.17 38.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.647 -0.658 . . . . 0.0 109.757 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 31' ' ' GLU . 1.6 mtmp? -110.51 157.99 19.02 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.614 -0.679 . . . . 0.0 109.958 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HG3' HG11 ' B' ' 53' ' ' VAL . 3.9 ttpm? -48.92 -45.48 41.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.818 -1.176 . . . . 0.0 109.088 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 m -57.48 -20.07 28.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 28' ' ' LYS . 87.6 mt-10 -99.03 -26.12 14.34 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -58.75 2.93 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.226 -0.921 . . . . 0.0 109.145 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.627 ' HB2' HG21 ' B' ' 53' ' ' VAL . 0.6 OUTLIER -62.78 -36.3 82.67 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 120.891 -1.131 . . . . 0.0 109.486 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 82.8 tt0 -73.76 -30.5 62.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.905 -1.122 . . . . 0.0 109.311 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' B' ' 31' ' ' GLU . 35.3 tp -75.01 -34.8 61.97 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.634 HG21 HD12 ' B' ' 47' ' ' ILE . 1.7 mm -59.97 -45.84 94.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-O 121.68 0.752 . . . . 0.0 109.571 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.26 -22.19 41.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.672 -0.642 . . . . 0.0 111.682 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -94.77 -43.97 7.99 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.643 -1.286 . . . . 0.0 112.928 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.545 ' C ' ' H ' ' B' ' 41' ' ' SER . 4.9 tp10 -108.56 -63.51 1.33 Allowed 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.677 -1.264 . . . . 0.0 110.461 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.615 HD22 ' N ' ' B' ' 40' ' ' LEU . 3.6 mm? -72.12 30.11 0.05 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.87 -1.144 . . . . 0.0 108.706 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.545 ' H ' ' C ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.06 -16.91 25.78 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.045 -1.034 . . . . 0.0 110.439 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -91.32 -22.75 20.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.779 -1.2 . . . . 0.0 110.166 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -111.12 -22.69 11.31 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.329 -0.857 . . . . 0.0 109.12 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tp -109.86 135.39 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -48.9 135.33 15.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.14 -0.975 . . . . 0.0 109.525 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -56.21 95.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.51 -0.744 . . . . 0.0 110.235 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.634 HD12 HG21 ' B' ' 36' ' ' ILE . 40.7 mt -70.85 124.55 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -111.25 -14.74 13.77 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' B' ' 49' ' ' GLU . 29.2 mp0 -109.41 133.71 52.74 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' B' ' 53' ' ' VAL . 31.4 mt-30 -69.23 -19.68 63.95 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 50' ' ' GLN . 31.7 mt-10 -40.64 -42.54 1.73 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.477 -0.764 . . . . 0.0 111.095 -178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.42 -37.88 66.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' B' ' 33' ' ' LYS . 40.2 t -67.7 -23.66 29.86 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 50' ' ' GLN . 60.3 m-20 -77.81 -34.91 51.9 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -84.62 -40.71 17.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.678 -0.639 . . . . 0.0 109.486 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -38.53 77.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.622 -1.299 . . . . 0.0 108.509 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' B' ' 61' ' ' ASP . 30.1 mtp -64.65 -33.28 75.58 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.4 -33.86 74.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.196 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.9 m -83.01 -28.05 29.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.405 -0.809 . . . . 0.0 109.628 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.09 -46.1 6.3 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.251 -0.905 . . . . 0.0 110.24 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' B' ' 57' ' ' MET . 48.5 t0 -56.03 102.43 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.39 -1.444 . . . . 0.0 108.783 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -89.95 -43.45 10.55 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -76.03 -3.04 33.61 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.22 42.8 93.57 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -92.51 -5.57 51.5 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.613 -0.934 . . . . 0.0 109.266 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.38 2.99 89.87 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 108.312 -1.915 . . . . 0.0 108.312 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -135.17 169.45 17.43 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' B' ' 69' ' ' ASP . 1.6 m -120.86 95.17 4.6 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.346 -0.846 . . . . 0.0 110.29 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.502 ' N ' ' OE2' ' B' ' 72' ' ' GLU . 15.6 m-20 -53.86 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -68.92 -60.69 2.2 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.049 -1.032 . . . . 0.0 110.551 -179.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.491 ' CD ' ' N ' ' B' ' 72' ' ' GLU . 0.0 OUTLIER -44.54 -39.91 5.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.116 -0.99 . . . . 0.0 112.126 -177.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.502 ' OE2' ' N ' ' B' ' 69' ' ' ASP . 4.4 pt-20 -90.39 -37.42 14.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.192 -1.568 . . . . 0.0 108.878 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.564 ' CD1' ' CD1' ' B' ' 27' ' ' LEU . 2.5 t80 -53.4 -44.18 68.51 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.66 -1.275 . . . . 0.0 108.058 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.438 ' SD ' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -59.15 -44.59 92.11 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 72' ' ' GLU . . . -50.34 -21.18 1.3 Allowed 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.197 -1.001 . . . . 0.0 109.385 -178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.16 -49.62 16.77 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 118.976 -1.09 . . . . 0.0 108.286 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 98.5 t -56.01 -40.46 63.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.422 -0.799 . . . . 0.0 109.45 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.829 ' O ' HG23 ' B' ' 82' ' ' THR . 0.0 OUTLIER -68.94 -24.79 64.31 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 4.9 ttt -73.24 -30.9 63.79 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' SD ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -86.56 -33.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 177.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 14.3 m -65.44 -40.26 93.07 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.829 HG23 ' O ' ' B' ' 78' ' ' SER . 17.7 p -58.78 -42.6 89.39 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.401 -0.812 . . . . 0.0 110.104 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.67 82.71 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.752 -1.218 . . . . 0.0 108.063 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 t -63.12 -16.51 60.24 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.896 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -99.48 -34.74 10.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.377 -0.827 . . . . 0.0 108.931 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -76.45 -36.18 58.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.334 -0.854 . . . . 0.0 109.49 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -65.67 -52.75 49.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.342 -0.849 . . . . 0.0 109.564 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -61.31 -50.48 72.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.323 -0.861 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.11 26.42 0.62 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.58 100.51 1.13 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.073 -1.017 . . . . 0.0 109.323 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.178 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_