data_1jar_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 1jar _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.33 115.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 123.918 0.761 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -73.43 -2.29 21.81 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.26 -79.7 0.05 OUTLIER Glycine 0 CA--C 1.54 1.607 0 CA-C-N 119.843 1.201 . . . . 0.0 113.147 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.28 133.01 35.22 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.2 83.82 6.04 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.938 0.895 . . . . 0.0 110.335 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.12 -91.69 0.16 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -87.87 94.97 9.93 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 tp -82.62 75.73 9.51 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -138.13 40.36 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.855 0 C-N-CA 124.123 0.969 . . . . 0.0 112.885 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.259 17.1 p -72.69 -85.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.036 -1.04 . . . . 0.0 110.121 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -69.87 -53.53 17.6 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 120.715 1.598 . . . . 0.0 111.905 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 124.418 2.056 . . . . 0.0 108.998 178.621 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -81.18 112.02 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 123.839 0.712 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.253 50.7 p-90 -76.37 -26.92 56.14 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.97 28.47 0.14 Allowed Glycine 0 CA--C 1.549 2.208 0 N-CA-C 117.688 1.835 . . . . 0.0 117.688 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.88 112.85 4.24 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 119.622 1.711 . . . . 0.0 106.394 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -81.64 86.97 6.31 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 122.081 0.943 . . . . 0.0 112.476 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.86 -99.26 0.28 Allowed Glycine 0 N--CA 1.479 1.559 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -86.15 116.38 24.31 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.1 tp -85.47 80.29 9.14 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.845 0.831 . . . . 0.0 110.987 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -125.37 45.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.302 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -80.67 99.13 8.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.737 -1.227 . . . . 0.0 109.417 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -124.5 -73.7 0.63 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.867 0.867 . . . . 0.0 109.432 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.393 2.044 . . . . 0.0 110.528 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.32 112.04 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 123.89 0.744 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.252 50.9 p-90 -75.84 -27.19 57.75 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.46 29.45 0.14 Allowed Glycine 0 CA--C 1.55 2.222 0 N-CA-C 117.55 1.78 . . . . 0.0 117.55 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -152.41 112.51 4.03 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.592 1.696 . . . . 0.0 106.476 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -81.25 85.77 6.33 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.125 0.964 . . . . 0.0 112.613 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.53 -99.35 0.27 Allowed Glycine 0 N--CA 1.48 1.61 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -85.63 115.9 23.6 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.7 tp -85.57 80.16 9.13 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.895 0.855 . . . . 0.0 111.028 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.45 47.0 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.187 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 p -84.31 102.15 12.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.788 -1.195 . . . . 0.0 109.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.8 p -83.45 -64.85 1.09 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.479 0.712 . . . . 0.0 112.079 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 124.375 2.036 . . . . 0.0 110.434 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.259 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.28 114.5 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 123.952 0.782 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -73.86 -2.71 24.89 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.22 -77.73 0.04 OUTLIER Glycine 0 CA--C 1.54 1.611 0 CA-C-N 119.866 1.212 . . . . 0.0 113.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.85 131.41 35.38 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -89.47 84.27 6.39 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.031 0.932 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.02 -93.03 0.18 Allowed Glycine 0 N--CA 1.482 1.744 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -85.62 96.43 9.66 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.34 75.03 10.0 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.812 0.815 . . . . 0.0 113.162 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.21 41.97 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.81 0 C-N-CA 124.079 0.951 . . . . 0.0 112.82 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.4 p -96.07 106.59 18.78 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.921 -1.112 . . . . 0.0 109.097 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -82.59 -64.22 1.22 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.271 0.628 . . . . 0.0 112.142 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.87 1.319 . . . . 0.0 112.455 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pp -81.58 114.14 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 123.825 0.703 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -73.52 -20.49 60.64 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.66 -66.64 0.01 OUTLIER Glycine 0 CA--C 1.542 1.749 0 C-N-CA 123.658 0.647 . . . . 0.0 113.27 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -74.38 120.59 20.15 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 117.527 0.664 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -85.96 85.84 7.37 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.173 0.989 . . . . 0.0 111.613 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.49 -94.36 0.2 Allowed Glycine 0 N--CA 1.482 1.745 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -84.59 102.48 12.93 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 tp -85.77 76.37 9.93 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.766 0.793 . . . . 0.0 112.198 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.16 51.17 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.68 0 C-N-CA 124.072 0.949 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 p -94.54 102.12 14.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.937 -1.102 . . . . 0.0 108.833 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 p -87.58 -66.7 0.88 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.331 0.652 . . . . 0.0 111.865 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 122.846 1.308 . . . . 0.0 109.582 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -78.87 107.53 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.657 0 O-C-N 123.923 0.764 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -75.3 -4.84 41.5 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 -76.55 0.03 OUTLIER Glycine 0 N--CA 1.479 1.537 0 CA-C-N 119.427 1.012 . . . . 0.0 111.838 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.78 122.04 27.69 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.09 0.556 . . . . 0.0 110.759 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 m -87.48 84.03 7.21 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-O 122.087 0.946 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.75 -92.49 0.15 Allowed Glycine 0 N--CA 1.482 1.714 0 N-CA-C 107.854 -2.098 . . . . 0.0 107.854 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -88.91 96.7 10.81 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.2 tp -82.21 76.8 9.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.94 38.5 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 C-N-CA 123.997 0.919 . . . . 0.0 113.452 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -97.86 102.89 14.76 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.042 -1.037 . . . . 0.0 108.974 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -83.33 -64.57 1.14 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.244 0.618 . . . . 0.0 112.06 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 122.882 1.325 . . . . 0.0 112.437 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -78.73 107.4 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 O-C-N 123.945 0.778 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -75.24 -4.92 41.76 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.53 -76.68 0.03 OUTLIER Glycine 0 N--CA 1.479 1.542 0 CA-C-N 119.461 1.028 . . . . 0.0 111.813 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.84 121.84 27.45 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.084 0.554 . . . . 0.0 110.708 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -87.26 84.05 7.29 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.103 0.954 . . . . 0.0 110.678 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.53 -92.07 0.15 Allowed Glycine 0 N--CA 1.48 1.595 0 N-CA-C 107.914 -2.074 . . . . 0.0 107.914 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -88.92 96.15 10.6 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 tp -82.09 76.88 8.96 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.99 38.31 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 C-N-CA 123.971 0.908 . . . . 0.0 113.409 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.5 p -96.14 100.24 11.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 p -91.55 -69.9 0.71 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.366 0.666 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.861 1.315 . . . . 0.0 112.343 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.46 114.63 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 123.91 0.756 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -74.15 -2.96 26.88 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 117.538 2.422 . . . . 0.0 117.538 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.57 -77.84 0.04 OUTLIER Glycine 0 CA--C 1.539 1.554 0 CA-C-N 119.836 1.198 . . . . 0.0 113.148 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -80.48 131.15 35.53 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.227 0.611 . . . . 0.0 112.605 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -89.21 84.27 6.51 Favored 'General case' 0 CA--C 1.559 1.288 0 C-N-CA 124.002 0.921 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.03 -92.98 0.18 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.93 96.74 9.9 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.22 75.46 9.94 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.56 40.92 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.82 0 C-N-CA 124.153 0.981 . . . . 0.0 112.915 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.6 p -97.55 100.66 12.08 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.989 -1.069 . . . . 0.0 108.81 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -92.69 105.43 17.58 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.179 0.592 . . . . 0.0 109.579 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 122.838 1.304 . . . . 0.0 112.467 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.69 114.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 123.818 0.699 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -72.6 -7.3 49.52 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.94 -75.6 0.04 OUTLIER Glycine 0 CA--C 1.539 1.555 0 CA-C-N 119.596 1.089 . . . . 0.0 113.072 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -76.86 128.71 35.09 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.215 0.606 . . . . 0.0 112.529 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -90.17 88.63 7.33 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.182 0.993 . . . . 0.0 110.803 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.06 -93.71 0.21 Allowed Glycine 0 N--CA 1.483 1.781 0 N-CA-C 108.532 -1.827 . . . . 0.0 108.532 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.25 100.81 12.03 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.7 tp -81.37 73.72 8.4 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.25 102.07 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.8 p -126.87 105.9 8.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.0 p -90.48 106.74 18.7 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.158 0.583 . . . . 0.0 109.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 122.895 1.331 . . . . 0.0 109.726 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.56 114.25 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 123.893 0.745 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -72.36 -7.1 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.608 2.447 . . . . 0.0 117.608 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.35 -75.76 0.04 OUTLIER Glycine 0 CA--C 1.54 1.609 0 CA-C-N 119.597 1.09 . . . . 0.0 113.044 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.0 129.01 35.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.263 0.625 . . . . 0.0 112.586 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -90.54 88.98 7.36 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 124.245 1.018 . . . . 0.0 110.65 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.9 -93.73 0.21 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -85.45 100.92 12.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 tp -81.26 73.72 8.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.46 102.41 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -128.85 115.64 18.21 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.126 -0.984 . . . . 0.0 108.517 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 p -89.24 104.68 17.21 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.075 0.55 . . . . 0.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 124.32 2.01 . . . . 0.0 110.7 -179.738 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.6 mm -80.78 110.03 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 124.039 0.837 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -85.83 -8.64 57.95 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.58 99.87 0.27 Allowed Glycine 0 N--CA 1.486 1.984 0 CA-C-N 120.239 1.381 . . . . 0.0 111.404 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -141.28 139.83 33.74 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -136.91 103.1 5.06 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.79 -83.08 0.37 Allowed Glycine 0 N--CA 1.483 1.818 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.26 115.36 22.98 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 tp -94.13 90.0 6.21 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.885 0.85 . . . . 0.0 110.224 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.31 83.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -85.02 116.48 23.43 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 t -78.07 127.45 32.33 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.767 0.427 . . . . 0.0 111.569 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 124.347 2.022 . . . . 0.0 110.592 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.292 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mm -84.23 105.21 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 123.975 0.797 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -97.02 4.82 51.29 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 117.406 2.373 . . . . 0.0 117.406 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.8 106.16 3.06 Favored Glycine 0 N--CA 1.489 2.212 0 CA-C-N 120.385 1.448 . . . . 0.0 110.443 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -127.33 129.55 47.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.403 0.62 . . . . 0.0 111.264 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -139.76 106.24 5.32 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -77.71 0.39 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -80.92 100.11 8.72 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -95.12 78.19 3.52 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.266 0.0 OUTLIER -158.28 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -89.41 96.99 10.94 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 121.294 1.861 . . . . 0.0 107.97 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -93.71 124.64 37.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.337 0.655 . . . . 0.0 110.56 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.43 2.062 . . . . 0.0 110.689 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.9 mm -77.26 106.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 123.895 0.747 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 41.5 p-90 -87.35 -7.63 57.56 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.69 98.42 0.25 Allowed Glycine 0 N--CA 1.485 1.955 0 CA-C-N 120.058 1.299 . . . . 0.0 110.718 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -141.25 131.33 24.7 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.994 0.517 . . . . 0.0 109.845 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -129.85 101.66 5.96 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.99 -80.67 0.4 Allowed Glycine 0 N--CA 1.485 1.904 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -82.59 109.65 16.98 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 tp -92.86 91.06 7.26 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.929 0.871 . . . . 0.0 110.177 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.1 OUTLIER -143.07 80.86 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 m -97.69 102.23 13.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.252 -0.905 . . . . 0.0 108.651 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -100.28 123.32 44.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.233 0.613 . . . . 0.0 109.925 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 124.366 2.031 . . . . 0.0 110.664 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -87.78 108.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -84.07 0.78 46.99 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.28 78.35 1.39 Allowed Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -84.7 113.89 21.63 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.488 0.661 . . . . 0.0 111.975 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -142.96 103.65 4.2 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.84 -77.78 0.54 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -81.06 118.05 22.17 Favored 'General case' 0 CA--C 1.563 1.468 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 tp -109.18 91.54 3.68 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.571 0.7 . . . . 0.0 110.326 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.263 0.1 OUTLIER -148.86 77.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 m -82.6 119.08 23.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.127 -0.983 . . . . 0.0 110.024 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -143.92 129.8 19.41 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.269 0.628 . . . . 0.0 109.401 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 124.42 2.057 . . . . 0.0 110.598 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.67 105.73 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 123.834 0.709 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -112.32 68.49 0.67 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 122.588 1.185 . . . . 0.0 109.023 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.35 82.68 0.62 Allowed Glycine 0 N--CA 1.488 2.166 0 CA-C-N 114.718 -1.128 . . . . 0.0 114.136 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -141.6 122.05 14.09 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -133.54 105.1 6.7 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.87 -79.47 0.43 Allowed Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -84.91 109.25 18.0 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -98.9 90.95 4.83 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 122.127 0.965 . . . . 0.0 109.397 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.261 0.1 OUTLIER -139.78 79.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -79.93 110.35 15.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.404 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.4 t -81.36 128.53 33.94 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.06 0.544 . . . . 0.0 111.488 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 124.352 2.025 . . . . 0.0 110.654 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 mm -76.2 110.46 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 124.045 0.84 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.294 45.3 p-90 -74.9 -29.04 60.87 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 118.396 2.739 . . . . 0.0 118.396 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 111.43 0.45 Allowed Glycine 0 N--CA 1.482 1.741 0 CA-C-N 119.086 0.857 . . . . 0.0 113.668 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -145.2 126.74 15.08 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -87.64 85.19 7.05 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 121.73 0.776 . . . . 0.0 111.065 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.51 -93.68 0.29 Allowed Glycine 0 N--CA 1.482 1.737 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.08 109.07 15.29 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.245 0.618 . . . . 0.0 109.574 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.24 83.56 7.93 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 122.069 0.937 . . . . 0.0 111.645 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER -143.98 76.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -75.97 114.6 14.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.819 -1.176 . . . . 0.0 111.839 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -113.22 124.76 53.28 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.727 0.811 . . . . 0.0 109.068 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 124.352 2.025 . . . . 0.0 110.701 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -75.84 110.4 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 123.968 0.793 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.295 47.3 p-90 -75.42 -29.21 59.68 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.74 112.29 0.5 Allowed Glycine 0 N--CA 1.482 1.714 0 CA-C-N 119.06 0.845 . . . . 0.0 113.664 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -145.44 125.8 13.95 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -86.13 83.92 7.62 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 121.79 0.805 . . . . 0.0 111.322 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.79 -93.64 0.28 Allowed Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.2 108.68 15.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.365 0.666 . . . . 0.0 109.521 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -83.99 83.6 7.89 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.112 0.958 . . . . 0.0 111.84 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER -144.19 76.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.1 m -76.97 111.57 12.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.899 -1.126 . . . . 0.0 111.735 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 t -106.24 121.04 43.39 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.623 0.769 . . . . 0.0 109.082 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.359 2.028 . . . . 0.0 110.595 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mm -83.12 111.17 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.119 0.887 . . . . 0.0 108.745 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.3 34.0 p-90 -74.13 -21.8 59.73 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 101.4 0.18 Allowed Glycine 0 N--CA 1.482 1.746 0 CA-C-N 119.784 1.175 . . . . 0.0 113.301 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -148.19 131.49 16.53 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 123.211 0.604 . . . . 0.0 109.486 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -108.3 90.77 3.4 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.02 -92.9 0.25 Allowed Glycine 0 N--CA 1.482 1.742 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 108.0 19.4 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.91 86.86 7.35 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.243 1.021 . . . . 0.0 111.186 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.1 OUTLIER -146.25 79.67 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -67.89 122.62 18.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.498 -1.376 . . . . 0.0 111.741 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -83.19 127.69 33.84 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.313 0.645 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 124.324 2.011 . . . . 0.0 110.607 -179.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -83.96 110.53 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -81.07 -0.72 41.17 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 118.628 2.825 . . . . 0.0 118.628 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.37 82.15 1.64 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -88.67 117.72 27.84 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.603 0.715 . . . . 0.0 112.865 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -150.43 104.83 3.26 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.6 -74.59 0.74 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.66 114.75 17.84 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.49 87.4 2.54 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.453 0.644 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.11 83.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.8 m -133.76 88.57 2.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -159.24 136.44 9.75 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 124.439 2.066 . . . . 0.0 110.848 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.6 mm -91.56 112.87 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -111.65 31.16 6.37 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.44 113.52 3.12 Favored Glycine 0 N--CA 1.488 2.103 0 O-C-N 121.376 -0.827 . . . . 0.0 113.074 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -127.24 90.1 3.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.12 0.962 . . . . 0.0 110.18 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -158.93 85.72 0.82 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -68.96 0.61 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -74.23 116.17 14.57 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.259 1.024 . . . . 0.0 108.542 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.14 87.78 2.6 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.969 0.89 . . . . 0.0 111.416 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.46 86.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -75.05 127.32 32.94 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.979 -1.075 . . . . 0.0 110.594 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.9 p -76.18 97.54 4.16 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.095 0.474 . . . . 0.0 111.042 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 122.954 1.359 . . . . 0.0 109.619 -179.501 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm -79.95 116.44 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -86.14 5.33 34.42 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 118.305 2.706 . . . . 0.0 118.305 -177.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.46 102.59 2.51 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.02 127.64 36.63 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.939 0.496 . . . . 0.0 109.861 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -130.81 103.42 6.57 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.43 -83.89 0.36 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -84.11 111.01 18.94 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -91.51 89.3 7.14 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.879 0.847 . . . . 0.0 109.979 -178.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -141.61 80.77 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.374 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t -58.68 139.31 56.25 Favored 'General case' 0 N--CA 1.507 2.397 0 CA-C-N 119.871 1.214 . . . . 0.0 112.502 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -75.75 100.62 4.77 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.853 0.461 . . . . 0.0 111.215 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 122.895 1.331 . . . . 0.0 109.616 -179.645 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.1 mm -95.37 116.58 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -114.01 50.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.75 90.45 0.74 Allowed Glycine 0 N--CA 1.489 2.185 0 O-C-N 121.737 -0.602 . . . . 0.0 111.949 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.97 108.38 8.36 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.44 0.638 . . . . 0.0 109.391 -179.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -146.26 104.66 3.82 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.1 -70.52 0.56 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 107.129 -2.389 . . . . 0.0 107.129 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -78.67 109.62 13.06 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 175.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -114.69 83.54 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.297 0.57 . . . . 0.0 111.167 -177.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.0 OUTLIER -156.4 86.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.642 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 t -56.21 129.32 39.71 Favored 'General case' 0 N--CA 1.507 2.419 0 CA-C-N 120.419 1.463 . . . . 0.0 113.426 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -81.82 96.49 7.63 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.854 0.462 . . . . 0.0 110.591 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 122.959 1.361 . . . . 0.0 111.162 -179.762 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.24 115.06 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -124.65 41.54 3.48 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.8 118.53 2.6 Favored Glycine 0 N--CA 1.489 2.193 0 O-C-N 121.402 -0.811 . . . . 0.0 114.241 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -133.5 84.97 2.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.958 0.885 . . . . 0.0 108.959 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -156.24 85.84 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 178.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.17 -77.26 0.51 Allowed Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.236 -1.946 . . . . 0.0 108.236 -176.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -79.11 116.79 19.61 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 177.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.76 92.16 5.19 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.925 0.869 . . . . 0.0 109.697 -178.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER -135.54 80.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.816 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.271 2.3 t -79.65 117.34 20.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p -87.12 103.99 15.92 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 122.922 0.489 . . . . 0.0 109.841 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 122.971 1.367 . . . . 0.0 111.725 -179.749 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -77.53 113.07 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 123.877 0.736 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -101.1 4.38 42.12 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 117.336 2.347 . . . . 0.0 117.336 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.14 102.52 1.99 Allowed Glycine 0 N--CA 1.489 2.201 0 CA-C-N 119.781 1.173 . . . . 0.0 110.931 -179.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -133.22 117.29 17.24 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 117.236 0.518 . . . . 0.0 109.772 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -105.83 87.59 2.62 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.017 0.927 . . . . 0.0 108.78 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.22 -92.81 0.23 Allowed Glycine 0 N--CA 1.482 1.759 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -87.62 107.52 18.64 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.02 89.55 7.63 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.426 1.108 . . . . 0.0 110.281 -178.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 0.1 OUTLIER -141.76 81.13 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.714 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -155.4 149.1 25.29 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.853 1.66 . . . . 0.0 110.632 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.1 p -79.43 112.0 16.24 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.301 0.64 . . . . 0.0 110.136 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.099 1.904 . . . . 0.0 110.696 -179.84 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 mm -72.63 117.33 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.05 0.844 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -71.97 -18.16 62.01 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -178.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.21 100.93 0.61 Allowed Glycine 0 N--CA 1.485 1.956 0 CA-C-N 119.194 0.907 . . . . 0.0 111.816 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -141.38 123.0 15.15 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -88.69 82.83 6.77 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.785 0.834 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.72 -96.38 0.22 Allowed Glycine 0 N--CA 1.482 1.712 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -82.3 113.88 20.4 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.31 84.07 7.76 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.923 0.868 . . . . 0.0 111.018 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.266 0.2 OUTLIER -145.75 78.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.453 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.1 t -156.96 128.44 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.633 -1.292 . . . . 0.0 109.671 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -108.09 109.75 21.26 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 124.183 1.944 . . . . 0.0 110.748 -179.833 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.06 117.66 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 124.093 0.871 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -73.89 -17.04 61.09 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 118.643 2.831 . . . . 0.0 118.643 -178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.12 101.86 0.64 Allowed Glycine 0 N--CA 1.485 1.931 0 CA-C-N 119.383 0.992 . . . . 0.0 112.062 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -142.21 122.25 13.71 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -88.2 82.59 7.08 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 121.836 0.826 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.56 -97.19 0.21 Allowed Glycine 0 N--CA 1.48 1.587 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -179.493 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -83.41 115.27 21.97 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.156 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -83.43 84.26 7.58 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.989 0.9 . . . . 0.0 110.885 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -145.76 79.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.718 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -156.83 125.37 5.75 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.5 p -99.27 99.88 10.9 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.191 1.948 . . . . 0.0 110.707 -179.731 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -73.17 117.76 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.079 0.862 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -71.86 -18.24 62.07 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 -178.371 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.34 101.61 0.67 Allowed Glycine 0 N--CA 1.485 1.94 0 CA-C-N 119.289 0.95 . . . . 0.0 111.731 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -141.45 122.54 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -88.26 82.34 7.1 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 121.892 0.853 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.94 -97.34 0.21 Allowed Glycine 0 N--CA 1.481 1.691 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -83.4 115.62 22.12 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.77 84.21 7.64 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.009 0.909 . . . . 0.0 110.921 -179.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -145.79 80.26 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.677 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t -157.21 130.61 7.93 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.524 -1.36 . . . . 0.0 109.812 -179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.4 p -110.59 106.52 15.82 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.139 1.923 . . . . 0.0 110.836 -179.894 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mm -73.18 117.82 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 123.976 0.798 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -72.38 -18.08 61.76 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -178.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.46 101.67 0.62 Allowed Glycine 0 N--CA 1.485 1.931 0 CA-C-N 119.352 0.978 . . . . 0.0 111.824 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -141.61 123.53 15.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -88.94 82.08 6.77 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 121.889 0.852 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.62 -97.49 0.21 Allowed Glycine 0 N--CA 1.481 1.692 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -82.93 115.98 22.02 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.8 84.02 7.71 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.893 0.854 . . . . 0.0 110.856 -178.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -146.37 80.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 t -158.4 123.47 4.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.704 -1.247 . . . . 0.0 109.14 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -97.55 101.59 13.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 124.174 1.94 . . . . 0.0 111.18 -179.682 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.73 117.57 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 124.042 0.839 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -71.87 -19.65 61.92 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 118.342 2.719 . . . . 0.0 118.342 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.34 97.53 0.37 Allowed Glycine 0 N--CA 1.484 1.884 0 CA-C-N 119.095 0.862 . . . . 0.0 111.654 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -142.75 119.48 11.15 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -92.51 83.42 4.94 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.789 0.836 . . . . 0.0 110.329 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.23 -90.19 0.16 Allowed Glycine 0 N--CA 1.481 1.689 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -89.52 106.29 18.36 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 mp -83.63 84.52 7.51 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.202 1.001 . . . . 0.0 110.613 -178.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.267 0.1 OUTLIER -147.99 79.16 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.277 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -155.54 149.61 25.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.529 -1.357 . . . . 0.0 111.109 -179.079 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 p -83.07 103.73 12.73 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.229 1.966 . . . . 0.0 110.68 -179.759 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.54 112.94 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 123.887 0.742 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -121.71 93.85 4.13 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.45 86.84 0.13 Allowed Glycine 0 N--CA 1.481 1.656 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.94 118.48 10.96 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.081 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -89.74 81.52 6.39 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.847 0.859 . . . . 0.0 110.763 179.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.74 -84.91 0.19 Allowed Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -178.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -83.58 92.6 7.68 Favored 'General case' 0 CA--C 1.561 1.401 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -82.48 73.3 9.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -178.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.28 9.5 tp -163.59 70.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 C-N-CA 124.507 1.123 . . . . 0.0 108.285 178.323 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -132.77 104.75 6.77 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.754 1.615 . . . . 0.0 107.176 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -80.88 122.89 27.78 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.168 0.587 . . . . 0.0 111.405 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 124.203 1.954 . . . . 0.0 110.573 -179.933 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.44 111.54 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.64 0 O-C-N 123.894 0.746 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -129.85 97.18 4.42 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.9 86.89 0.11 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -141.5 119.97 12.38 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -89.94 81.5 6.27 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.751 0.821 . . . . 0.0 110.676 179.324 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.42 0.2 Allowed Glycine 0 N--CA 1.481 1.673 0 N-CA-C 109.406 -1.477 . . . . 0.0 109.406 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -83.44 92.05 7.49 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -82.35 73.96 9.35 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.28 8.8 tp -163.23 70.19 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.579 0 C-N-CA 124.526 1.13 . . . . 0.0 108.338 178.376 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 m -118.92 100.18 7.21 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 121.098 1.772 . . . . 0.0 106.263 178.363 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -86.17 116.97 24.7 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.098 0.559 . . . . 0.0 110.57 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 124.174 1.94 . . . . 0.0 108.908 -179.813 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.03 112.13 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 123.816 0.697 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -127.7 95.94 4.38 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.69 0.12 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -140.69 120.15 13.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -91.55 82.33 5.33 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 121.838 0.828 . . . . 0.0 110.497 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.1 -84.37 0.21 Allowed Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -178.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -83.06 92.6 7.42 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.251 2.4 pt? -82.55 72.08 9.62 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -178.322 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 9.3 tp -161.66 69.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.32 1.048 . . . . 0.0 108.633 178.292 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.1 m -126.44 102.39 7.11 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.805 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -83.66 113.28 20.75 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.085 0.554 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.099 1.904 . . . . 0.0 108.839 -179.756 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.63 110.39 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 123.832 0.708 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -125.02 95.54 4.54 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.29 85.47 0.13 Allowed Glycine 0 N--CA 1.481 1.687 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -139.67 117.35 11.55 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -89.66 82.45 6.32 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.967 0.889 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.56 -86.49 0.18 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.055 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -84.81 92.84 8.35 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.251 2.4 pt? -82.94 75.12 9.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.215 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.291 9.3 tp -160.61 68.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 C-N-CA 124.316 1.046 . . . . 0.0 108.658 178.153 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -131.46 100.53 5.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -80.55 121.63 26.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.204 0.601 . . . . 0.0 111.211 -179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 124.165 1.936 . . . . 0.0 108.982 -179.874 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.261 2.8 pp -74.47 116.97 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.43 0.692 . . . . 0.0 110.768 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.8 95.13 3.07 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.265 0.555 . . . . 0.0 109.719 -178.72 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.67 92.73 0.1 Allowed Glycine 0 N--CA 1.481 1.637 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.07 121.89 16.53 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -88.76 82.28 6.84 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.929 0.891 . . . . 0.0 110.854 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.56 -87.53 0.17 Allowed Glycine 0 N--CA 1.482 1.727 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -85.34 91.95 8.32 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.185 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.262 2.5 pt? -81.93 74.17 8.93 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.214 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 10.2 tp -164.74 70.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.582 0 C-N-CA 124.452 1.101 . . . . 0.0 108.554 178.175 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -134.73 105.85 6.65 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -82.0 125.03 30.32 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.12 0.568 . . . . 0.0 111.32 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 124.21 1.957 . . . . 0.0 110.981 -179.911 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 2.6 pp -75.31 110.69 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 C-N-CA 123.586 0.754 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -108.17 92.44 4.06 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.091 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 86.92 0.11 Allowed Glycine 0 N--CA 1.482 1.725 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.903 -179.809 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -147.93 128.72 14.3 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -84.15 83.62 7.9 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-O 122.08 0.943 . . . . 0.0 111.792 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.54 -90.42 0.17 Allowed Glycine 0 N--CA 1.481 1.684 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -179.026 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -86.75 94.47 9.53 Favored 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.28 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.257 2.5 pt? -80.28 70.6 6.96 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.318 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.288 8.1 tp -162.41 70.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 124.19 0.996 . . . . 0.0 109.02 178.557 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -151.75 125.75 9.17 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 104.219 -2.511 . . . . 0.0 104.219 178.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -67.24 128.03 34.85 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 124.076 1.893 . . . . 0.0 110.695 -179.804 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.48 110.27 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 123.873 0.733 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -124.99 95.62 4.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.97 85.18 0.13 Allowed Glycine 0 N--CA 1.48 1.58 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.216 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -139.74 115.93 10.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -87.93 82.02 7.36 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.847 0.859 . . . . 0.0 111.361 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.94 -87.96 0.17 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 109.029 -1.628 . . . . 0.0 109.029 -179.141 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -86.0 93.98 9.1 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.718 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.252 2.5 pt? -83.49 78.03 9.73 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.213 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.294 9.3 tp -160.03 67.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.235 1.014 . . . . 0.0 108.825 178.062 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -131.14 100.29 5.16 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 179.105 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -80.69 118.35 22.16 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.058 0.543 . . . . 0.0 111.074 -179.732 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 123.064 1.411 . . . . 0.0 110.007 -179.771 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.17 111.62 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 123.886 0.741 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -130.04 97.46 4.47 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 85.17 0.12 Allowed Glycine 0 N--CA 1.48 1.618 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.343 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -140.47 117.34 11.05 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -87.3 81.7 7.82 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 122.079 0.942 . . . . 0.0 111.58 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.18 -87.62 0.17 Allowed Glycine 0 N--CA 1.481 1.665 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -179.159 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -86.31 93.35 9.06 Favored 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . 0.251 2.5 pt? -83.15 79.95 9.21 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.298 1.047 . . . . 0.0 113.781 -178.267 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.287 8.8 tp -161.85 67.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.662 178.245 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -120.13 98.9 6.29 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 178.265 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -84.75 121.17 27.3 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.07 0.548 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 123.009 1.385 . . . . 0.0 111.849 -179.92 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.36 134.53 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 124.36 1.038 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -136.38 67.68 1.45 Allowed 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.653 0.739 . . . . 0.0 109.813 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -70.63 1.83 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 114.413 0.525 . . . . 0.0 114.413 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.99 130.22 42.42 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.496 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -107.55 89.79 3.1 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.352 1.061 . . . . 0.0 109.786 -179.734 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.05 -94.89 0.11 Allowed Glycine 0 N--CA 1.481 1.648 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -83.31 104.35 13.41 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -81.83 77.05 8.71 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.27 0.1 OUTLIER -154.4 72.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 176.946 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 m -79.45 107.6 12.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.557 -1.339 . . . . 0.0 110.277 -178.633 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -148.31 125.28 11.32 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 124.344 2.021 . . . . 0.0 110.622 179.991 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.28 134.17 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 124.381 1.05 . . . . 0.0 109.743 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -136.16 71.47 1.42 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.814 0.816 . . . . 0.0 109.786 -177.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.7 -72.94 1.64 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -70.97 130.5 41.75 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -105.95 93.64 4.74 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.006 0.923 . . . . 0.0 109.947 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.71 -92.44 0.09 OUTLIER Glycine 0 N--CA 1.479 1.556 0 N-CA-C 108.392 -1.883 . . . . 0.0 108.392 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.93 113.69 21.15 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.058 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -83.27 72.3 10.19 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.461 1.124 . . . . 0.0 113.114 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 81.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 178.713 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -74.43 97.1 3.0 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 120.832 1.651 . . . . 0.0 110.668 -179.699 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.5 t -157.25 130.69 7.93 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.623 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 124.394 2.045 . . . . 0.0 110.815 -179.979 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.46 132.04 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 124.252 0.97 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -136.56 69.24 1.42 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.995 0.903 . . . . 0.0 110.217 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.86 -75.57 0.7 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 179.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.55 124.67 24.8 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -178.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -97.74 94.68 7.08 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.183 0.993 . . . . 0.0 110.0 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.5 -79.28 0.14 Allowed Glycine 0 N--CA 1.48 1.606 0 N-CA-C 108.201 -1.96 . . . . 0.0 108.201 -179.289 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -79.55 110.39 14.83 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 177.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.37 61.28 6.54 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.26 0.0 OUTLIER -161.34 80.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 178.241 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -85.66 104.32 15.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.43 -1.418 . . . . 0.0 109.374 -178.901 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -148.45 128.86 13.91 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.674 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 124.419 2.057 . . . . 0.0 110.633 -179.997 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt -128.77 134.17 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 124.317 1.011 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -137.44 68.31 1.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.684 0.754 . . . . 0.0 109.508 -177.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.49 -71.94 1.78 Allowed Glycine 0 N--CA 1.489 2.187 0 O-C-N 121.975 -0.453 . . . . 0.0 113.695 -179.329 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.76 133.52 49.4 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -113.87 94.71 4.96 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.256 1.022 . . . . 0.0 109.037 179.745 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.85 -87.4 0.1 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -85.13 95.24 9.07 Favored 'General case' 0 CA--C 1.56 1.363 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 177.603 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.2 mt -80.66 76.25 7.54 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.134 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.272 0.1 OUTLIER -158.12 74.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.532 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 177.049 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 m -79.57 110.12 14.59 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.348 -1.47 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -87.35 124.76 33.72 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.252 0.621 . . . . 0.0 110.682 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 124.379 2.038 . . . . 0.0 110.695 -179.952 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.6 mm -74.44 109.39 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 123.984 0.802 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -132.89 98.39 4.29 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.685 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.12 86.89 0.11 Allowed Glycine 0 N--CA 1.481 1.686 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.399 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.49 145.35 36.78 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.54 0.686 . . . . 0.0 110.956 -178.621 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -117.3 99.12 6.8 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.097 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.44 -85.0 0.36 Allowed Glycine 0 N--CA 1.483 1.812 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -178.619 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.56 96.72 10.74 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.469 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.61 78.46 8.51 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.938 0.875 . . . . 0.0 112.149 -178.51 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.293 8.8 tp -163.07 68.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.54 0 C-N-CA 124.465 1.106 . . . . 0.0 108.376 178.007 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.3 m -129.79 117.6 20.5 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 179.13 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -81.06 103.51 10.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 123.175 0.59 . . . . 0.0 110.132 -179.81 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 124.341 2.02 . . . . 0.0 110.495 -179.664 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 mm -78.88 109.55 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -124.2 94.41 4.21 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.684 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.67 86.48 0.16 Allowed Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 179.008 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -130.63 112.09 12.82 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.46 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -88.2 84.19 6.91 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 121.968 0.89 . . . . 0.0 111.137 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.76 -95.0 0.16 Allowed Glycine 0 N--CA 1.481 1.689 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.516 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -91.08 112.93 25.04 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.516 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.38 87.03 7.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 122.111 0.958 . . . . 0.0 110.569 -178.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.272 10.9 tp -151.54 75.33 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.381 178.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -156.61 112.98 3.03 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.049 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -90.66 101.07 13.82 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 124.026 1.87 . . . . 0.0 108.627 -179.592 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.6 mm -78.96 102.96 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.7 0 O-C-N 123.865 0.728 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -111.01 91.8 3.8 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 178.565 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.81 96.83 0.23 Allowed Glycine 0 N--CA 1.484 1.846 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.893 -179.297 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.16 119.9 13.37 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.795 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -86.82 85.8 7.29 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 121.899 0.857 . . . . 0.0 111.338 -179.548 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 -94.24 0.18 Allowed Glycine 0 N--CA 1.481 1.644 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -89.75 113.18 24.67 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.781 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.0 87.24 7.35 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.025 0.917 . . . . 0.0 110.008 -179.094 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 10.9 tp -147.7 72.49 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.702 178.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -63.71 105.4 0.8 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 119.139 0.882 . . . . 0.0 111.906 -178.898 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.2 p -139.21 132.45 29.87 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.953 -1.022 . . . . 0.0 108.491 -178.535 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 122.919 1.342 . . . . 0.0 112.758 179.813 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.7 mm -80.95 116.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.61 105.35 3.57 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 121.147 0.499 . . . . 0.0 110.674 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.42 86.56 0.13 Allowed Glycine 0 N--CA 1.481 1.681 0 N-CA-C 107.466 -2.254 . . . . 0.0 107.466 178.548 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -126.96 124.49 39.57 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.007 0.523 . . . . 0.0 110.315 -177.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -136.82 104.99 5.67 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.082 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.36 -80.85 0.38 Allowed Glycine 0 N--CA 1.483 1.781 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -177.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -84.46 113.37 21.15 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.06 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tt -99.79 91.62 4.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.54 0.686 . . . . 0.0 109.381 -179.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.316 9.5 tp -145.05 55.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.03 178.348 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 m -90.43 95.17 10.05 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 121.384 1.902 . . . . 0.0 107.658 179.246 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.1 p -104.27 103.63 13.41 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.242 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.839 1.304 . . . . 0.0 112.456 -179.858 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -79.57 107.32 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -105.7 88.22 2.78 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.874 0.845 . . . . 0.0 108.856 179.288 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.71 83.47 0.17 Allowed Glycine 0 N--CA 1.48 1.577 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 179.044 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -132.52 116.81 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -178.312 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -91.02 91.95 8.53 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.707 0.803 . . . . 0.0 110.123 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.64 -88.39 0.22 Allowed Glycine 0 N--CA 1.481 1.687 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -179.226 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.59 94.72 9.53 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.37 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 tp -86.62 77.72 9.31 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 122.452 1.12 . . . . 0.0 112.57 -178.319 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.257 7.9 tp -161.25 73.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.668 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -91.99 98.26 11.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.899 1.681 . . . . 0.0 107.921 178.446 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -96.94 111.28 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.343 0.657 . . . . 0.0 109.301 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 122.909 1.337 . . . . 0.0 112.463 -179.816 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 mm -81.72 114.79 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.01 108.36 3.78 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.815 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.34 91.29 0.12 Allowed Glycine 0 N--CA 1.481 1.643 0 N-CA-C 108.125 -1.99 . . . . 0.0 108.125 179.12 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.19 146.74 47.17 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.042 0.925 . . . . 0.0 112.13 -178.059 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -140.46 102.89 4.44 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 178.301 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 -82.31 0.31 Allowed Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.916 -1.674 . . . . 0.0 108.916 -178.027 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.47 93.03 8.22 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.808 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.58 77.7 8.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.241 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.279 10.8 tp -159.09 75.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.529 0.732 . . . . 0.0 109.912 178.757 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -164.16 134.46 4.17 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.98 -1.075 . . . . 0.0 108.751 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -86.53 98.77 11.24 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 122.886 1.327 . . . . 0.0 109.801 -179.686 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.0 mm -79.0 109.81 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -127.01 97.12 4.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.702 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.91 90.03 0.13 Allowed Glycine 0 N--CA 1.479 1.554 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.389 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.52 122.05 23.04 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.023 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -92.47 88.2 6.27 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 121.69 0.757 . . . . 0.0 110.011 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.29 -97.27 0.23 Allowed Glycine 0 N--CA 1.48 1.628 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 -179.449 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -86.2 115.55 23.83 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.083 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.4 mt -84.89 86.51 7.36 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.011 0.91 . . . . 0.0 110.818 -179.142 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.268 10.6 tp -151.42 77.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.153 179.013 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -155.86 130.64 9.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.876 -1.14 . . . . 0.0 109.193 179.52 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -89.18 102.09 14.74 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 124.274 1.988 . . . . 0.0 110.618 -179.693 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.8 106.31 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -89.48 87.49 7.09 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.2 1.0 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.36 87.2 0.18 Allowed Glycine 0 N--CA 1.482 1.739 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 178.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -140.26 153.2 46.44 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.16 0.981 . . . . 0.0 111.773 -178.723 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -130.82 99.17 4.84 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 178.43 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.47 -83.5 0.35 Allowed Glycine 0 N--CA 1.485 1.927 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -82.94 95.32 7.95 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.0 77.04 8.5 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.636 0.731 . . . . 0.0 112.814 -177.527 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 10.8 tp -162.07 77.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.75 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -161.34 129.29 4.26 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.989 -1.069 . . . . 0.0 108.778 179.03 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 p -88.13 103.68 15.97 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 124.344 2.021 . . . . 0.0 110.682 -179.761 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.33 115.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 123.918 0.761 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -73.43 -2.29 21.81 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.26 -79.7 0.05 OUTLIER Glycine 0 CA--C 1.54 1.607 0 CA-C-N 119.843 1.201 . . . . 0.0 113.147 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.28 133.01 35.22 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.2 83.82 6.04 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.938 0.895 . . . . 0.0 110.335 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.12 -91.69 0.16 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -87.87 94.97 9.93 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 tp -82.62 75.73 9.51 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -138.13 40.36 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.855 0 C-N-CA 124.123 0.969 . . . . 0.0 112.885 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.259 17.1 p -72.69 -85.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.036 -1.04 . . . . 0.0 110.121 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -69.87 -53.53 17.6 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 120.715 1.598 . . . . 0.0 111.905 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 124.418 2.056 . . . . 0.0 108.998 178.621 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -81.18 112.02 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 123.839 0.712 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.253 50.7 p-90 -76.37 -26.92 56.14 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.97 28.47 0.14 Allowed Glycine 0 CA--C 1.549 2.208 0 N-CA-C 117.688 1.835 . . . . 0.0 117.688 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.88 112.85 4.24 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 119.622 1.711 . . . . 0.0 106.394 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -81.64 86.97 6.31 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 122.081 0.943 . . . . 0.0 112.476 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.86 -99.26 0.28 Allowed Glycine 0 N--CA 1.479 1.559 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -86.15 116.38 24.31 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.1 tp -85.47 80.29 9.14 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.845 0.831 . . . . 0.0 110.987 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -125.37 45.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.302 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -80.67 99.13 8.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.737 -1.227 . . . . 0.0 109.417 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -124.5 -73.7 0.63 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.867 0.867 . . . . 0.0 109.432 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.393 2.044 . . . . 0.0 110.528 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.32 112.04 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 123.89 0.744 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.252 50.9 p-90 -75.84 -27.19 57.75 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.46 29.45 0.14 Allowed Glycine 0 CA--C 1.55 2.222 0 N-CA-C 117.55 1.78 . . . . 0.0 117.55 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -152.41 112.51 4.03 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.592 1.696 . . . . 0.0 106.476 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -81.25 85.77 6.33 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.125 0.964 . . . . 0.0 112.613 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.53 -99.35 0.27 Allowed Glycine 0 N--CA 1.48 1.61 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -85.63 115.9 23.6 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.7 tp -85.57 80.16 9.13 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.895 0.855 . . . . 0.0 111.028 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.45 47.0 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.187 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 p -84.31 102.15 12.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.788 -1.195 . . . . 0.0 109.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.8 p -83.45 -64.85 1.09 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.479 0.712 . . . . 0.0 112.079 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 124.375 2.036 . . . . 0.0 110.434 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.259 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.28 114.5 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 123.952 0.782 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -73.86 -2.71 24.89 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.22 -77.73 0.04 OUTLIER Glycine 0 CA--C 1.54 1.611 0 CA-C-N 119.866 1.212 . . . . 0.0 113.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.85 131.41 35.38 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -89.47 84.27 6.39 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.031 0.932 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.02 -93.03 0.18 Allowed Glycine 0 N--CA 1.482 1.744 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -85.62 96.43 9.66 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.34 75.03 10.0 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.812 0.815 . . . . 0.0 113.162 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.21 41.97 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.81 0 C-N-CA 124.079 0.951 . . . . 0.0 112.82 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.4 p -96.07 106.59 18.78 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.921 -1.112 . . . . 0.0 109.097 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -82.59 -64.22 1.22 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.271 0.628 . . . . 0.0 112.142 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.87 1.319 . . . . 0.0 112.455 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pp -81.58 114.14 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 123.825 0.703 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -73.52 -20.49 60.64 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.66 -66.64 0.01 OUTLIER Glycine 0 CA--C 1.542 1.749 0 C-N-CA 123.658 0.647 . . . . 0.0 113.27 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -74.38 120.59 20.15 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 117.527 0.664 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -85.96 85.84 7.37 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.173 0.989 . . . . 0.0 111.613 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.49 -94.36 0.2 Allowed Glycine 0 N--CA 1.482 1.745 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -84.59 102.48 12.93 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 tp -85.77 76.37 9.93 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.766 0.793 . . . . 0.0 112.198 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.16 51.17 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.68 0 C-N-CA 124.072 0.949 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 p -94.54 102.12 14.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.937 -1.102 . . . . 0.0 108.833 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 p -87.58 -66.7 0.88 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.331 0.652 . . . . 0.0 111.865 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 122.846 1.308 . . . . 0.0 109.582 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -78.87 107.53 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.657 0 O-C-N 123.923 0.764 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -75.3 -4.84 41.5 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 -76.55 0.03 OUTLIER Glycine 0 N--CA 1.479 1.537 0 CA-C-N 119.427 1.012 . . . . 0.0 111.838 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.78 122.04 27.69 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.09 0.556 . . . . 0.0 110.759 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 m -87.48 84.03 7.21 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-O 122.087 0.946 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.75 -92.49 0.15 Allowed Glycine 0 N--CA 1.482 1.714 0 N-CA-C 107.854 -2.098 . . . . 0.0 107.854 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -88.91 96.7 10.81 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.2 tp -82.21 76.8 9.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.94 38.5 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 C-N-CA 123.997 0.919 . . . . 0.0 113.452 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -97.86 102.89 14.76 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.042 -1.037 . . . . 0.0 108.974 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -83.33 -64.57 1.14 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.244 0.618 . . . . 0.0 112.06 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 122.882 1.325 . . . . 0.0 112.437 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -78.73 107.4 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 O-C-N 123.945 0.778 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -75.24 -4.92 41.76 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.53 -76.68 0.03 OUTLIER Glycine 0 N--CA 1.479 1.542 0 CA-C-N 119.461 1.028 . . . . 0.0 111.813 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.84 121.84 27.45 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.084 0.554 . . . . 0.0 110.708 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -87.26 84.05 7.29 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.103 0.954 . . . . 0.0 110.678 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.53 -92.07 0.15 Allowed Glycine 0 N--CA 1.48 1.595 0 N-CA-C 107.914 -2.074 . . . . 0.0 107.914 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -88.92 96.15 10.6 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 tp -82.09 76.88 8.96 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.99 38.31 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 C-N-CA 123.971 0.908 . . . . 0.0 113.409 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.5 p -96.14 100.24 11.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 p -91.55 -69.9 0.71 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.366 0.666 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.861 1.315 . . . . 0.0 112.343 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.46 114.63 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 123.91 0.756 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -74.15 -2.96 26.88 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 117.538 2.422 . . . . 0.0 117.538 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.57 -77.84 0.04 OUTLIER Glycine 0 CA--C 1.539 1.554 0 CA-C-N 119.836 1.198 . . . . 0.0 113.148 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -80.48 131.15 35.53 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.227 0.611 . . . . 0.0 112.605 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -89.21 84.27 6.51 Favored 'General case' 0 CA--C 1.559 1.288 0 C-N-CA 124.002 0.921 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.03 -92.98 0.18 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.93 96.74 9.9 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.22 75.46 9.94 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.56 40.92 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.82 0 C-N-CA 124.153 0.981 . . . . 0.0 112.915 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.6 p -97.55 100.66 12.08 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.989 -1.069 . . . . 0.0 108.81 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -92.69 105.43 17.58 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.179 0.592 . . . . 0.0 109.579 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 122.838 1.304 . . . . 0.0 112.467 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.69 114.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 123.818 0.699 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -72.6 -7.3 49.52 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.94 -75.6 0.04 OUTLIER Glycine 0 CA--C 1.539 1.555 0 CA-C-N 119.596 1.089 . . . . 0.0 113.072 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -76.86 128.71 35.09 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.215 0.606 . . . . 0.0 112.529 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -90.17 88.63 7.33 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.182 0.993 . . . . 0.0 110.803 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.06 -93.71 0.21 Allowed Glycine 0 N--CA 1.483 1.781 0 N-CA-C 108.532 -1.827 . . . . 0.0 108.532 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.25 100.81 12.03 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.7 tp -81.37 73.72 8.4 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.25 102.07 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.8 p -126.87 105.9 8.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.0 p -90.48 106.74 18.7 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.158 0.583 . . . . 0.0 109.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 122.895 1.331 . . . . 0.0 109.726 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.56 114.25 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 123.893 0.745 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -72.36 -7.1 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.608 2.447 . . . . 0.0 117.608 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.35 -75.76 0.04 OUTLIER Glycine 0 CA--C 1.54 1.609 0 CA-C-N 119.597 1.09 . . . . 0.0 113.044 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.0 129.01 35.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.263 0.625 . . . . 0.0 112.586 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -90.54 88.98 7.36 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 124.245 1.018 . . . . 0.0 110.65 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.9 -93.73 0.21 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -85.45 100.92 12.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 tp -81.26 73.72 8.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.46 102.41 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -128.85 115.64 18.21 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.126 -0.984 . . . . 0.0 108.517 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 p -89.24 104.68 17.21 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.075 0.55 . . . . 0.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 124.32 2.01 . . . . 0.0 110.7 -179.738 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.6 mm -80.78 110.03 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 124.039 0.837 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -85.83 -8.64 57.95 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.58 99.87 0.27 Allowed Glycine 0 N--CA 1.486 1.984 0 CA-C-N 120.239 1.381 . . . . 0.0 111.404 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -141.28 139.83 33.74 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -136.91 103.1 5.06 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.79 -83.08 0.37 Allowed Glycine 0 N--CA 1.483 1.818 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.26 115.36 22.98 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 tp -94.13 90.0 6.21 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.885 0.85 . . . . 0.0 110.224 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.31 83.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -85.02 116.48 23.43 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 t -78.07 127.45 32.33 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.767 0.427 . . . . 0.0 111.569 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 124.347 2.022 . . . . 0.0 110.592 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.292 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mm -84.23 105.21 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 123.975 0.797 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -97.02 4.82 51.29 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 117.406 2.373 . . . . 0.0 117.406 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.8 106.16 3.06 Favored Glycine 0 N--CA 1.489 2.212 0 CA-C-N 120.385 1.448 . . . . 0.0 110.443 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -127.33 129.55 47.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.403 0.62 . . . . 0.0 111.264 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -139.76 106.24 5.32 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -77.71 0.39 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -80.92 100.11 8.72 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -95.12 78.19 3.52 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.266 0.0 OUTLIER -158.28 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -89.41 96.99 10.94 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 121.294 1.861 . . . . 0.0 107.97 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -93.71 124.64 37.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.337 0.655 . . . . 0.0 110.56 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.43 2.062 . . . . 0.0 110.689 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.9 mm -77.26 106.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 123.895 0.747 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 41.5 p-90 -87.35 -7.63 57.56 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.69 98.42 0.25 Allowed Glycine 0 N--CA 1.485 1.955 0 CA-C-N 120.058 1.299 . . . . 0.0 110.718 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -141.25 131.33 24.7 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.994 0.517 . . . . 0.0 109.845 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -129.85 101.66 5.96 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.99 -80.67 0.4 Allowed Glycine 0 N--CA 1.485 1.904 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -82.59 109.65 16.98 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 tp -92.86 91.06 7.26 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.929 0.871 . . . . 0.0 110.177 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.1 OUTLIER -143.07 80.86 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 m -97.69 102.23 13.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.252 -0.905 . . . . 0.0 108.651 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -100.28 123.32 44.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.233 0.613 . . . . 0.0 109.925 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 124.366 2.031 . . . . 0.0 110.664 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -87.78 108.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -84.07 0.78 46.99 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.28 78.35 1.39 Allowed Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -84.7 113.89 21.63 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.488 0.661 . . . . 0.0 111.975 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -142.96 103.65 4.2 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.84 -77.78 0.54 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -81.06 118.05 22.17 Favored 'General case' 0 CA--C 1.563 1.468 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 tp -109.18 91.54 3.68 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.571 0.7 . . . . 0.0 110.326 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.263 0.1 OUTLIER -148.86 77.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 m -82.6 119.08 23.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.127 -0.983 . . . . 0.0 110.024 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -143.92 129.8 19.41 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.269 0.628 . . . . 0.0 109.401 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 124.42 2.057 . . . . 0.0 110.598 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.67 105.73 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 123.834 0.709 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -112.32 68.49 0.67 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 122.588 1.185 . . . . 0.0 109.023 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.35 82.68 0.62 Allowed Glycine 0 N--CA 1.488 2.166 0 CA-C-N 114.718 -1.128 . . . . 0.0 114.136 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -141.6 122.05 14.09 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -133.54 105.1 6.7 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.87 -79.47 0.43 Allowed Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -84.91 109.25 18.0 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -98.9 90.95 4.83 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 122.127 0.965 . . . . 0.0 109.397 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.261 0.1 OUTLIER -139.78 79.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -79.93 110.35 15.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.404 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.4 t -81.36 128.53 33.94 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.06 0.544 . . . . 0.0 111.488 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 124.352 2.025 . . . . 0.0 110.654 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 mm -76.2 110.46 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 124.045 0.84 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.294 45.3 p-90 -74.9 -29.04 60.87 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 118.396 2.739 . . . . 0.0 118.396 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 111.43 0.45 Allowed Glycine 0 N--CA 1.482 1.741 0 CA-C-N 119.086 0.857 . . . . 0.0 113.668 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -145.2 126.74 15.08 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -87.64 85.19 7.05 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 121.73 0.776 . . . . 0.0 111.065 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.51 -93.68 0.29 Allowed Glycine 0 N--CA 1.482 1.737 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.08 109.07 15.29 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.245 0.618 . . . . 0.0 109.574 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.24 83.56 7.93 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 122.069 0.937 . . . . 0.0 111.645 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER -143.98 76.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -75.97 114.6 14.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.819 -1.176 . . . . 0.0 111.839 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -113.22 124.76 53.28 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.727 0.811 . . . . 0.0 109.068 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 124.352 2.025 . . . . 0.0 110.701 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -75.84 110.4 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 123.968 0.793 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.295 47.3 p-90 -75.42 -29.21 59.68 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.74 112.29 0.5 Allowed Glycine 0 N--CA 1.482 1.714 0 CA-C-N 119.06 0.845 . . . . 0.0 113.664 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -145.44 125.8 13.95 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -86.13 83.92 7.62 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 121.79 0.805 . . . . 0.0 111.322 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.79 -93.64 0.28 Allowed Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.2 108.68 15.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.365 0.666 . . . . 0.0 109.521 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -83.99 83.6 7.89 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.112 0.958 . . . . 0.0 111.84 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER -144.19 76.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.1 m -76.97 111.57 12.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.899 -1.126 . . . . 0.0 111.735 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 t -106.24 121.04 43.39 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.623 0.769 . . . . 0.0 109.082 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.359 2.028 . . . . 0.0 110.595 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mm -83.12 111.17 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.119 0.887 . . . . 0.0 108.745 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.3 34.0 p-90 -74.13 -21.8 59.73 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 101.4 0.18 Allowed Glycine 0 N--CA 1.482 1.746 0 CA-C-N 119.784 1.175 . . . . 0.0 113.301 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -148.19 131.49 16.53 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 123.211 0.604 . . . . 0.0 109.486 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -108.3 90.77 3.4 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.02 -92.9 0.25 Allowed Glycine 0 N--CA 1.482 1.742 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 108.0 19.4 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.91 86.86 7.35 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.243 1.021 . . . . 0.0 111.186 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.1 OUTLIER -146.25 79.67 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.576 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -67.89 122.62 18.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.498 -1.376 . . . . 0.0 111.741 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -83.19 127.69 33.84 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.313 0.645 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 124.324 2.011 . . . . 0.0 110.607 -179.902 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -83.96 110.53 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -81.07 -0.72 41.17 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 118.628 2.825 . . . . 0.0 118.628 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.37 82.15 1.64 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -88.67 117.72 27.84 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.603 0.715 . . . . 0.0 112.865 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -150.43 104.83 3.26 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.6 -74.59 0.74 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.66 114.75 17.84 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.49 87.4 2.54 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.453 0.644 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.11 83.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.8 m -133.76 88.57 2.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -159.24 136.44 9.75 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 124.439 2.066 . . . . 0.0 110.848 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.6 mm -91.56 112.87 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -111.65 31.16 6.37 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.44 113.52 3.12 Favored Glycine 0 N--CA 1.488 2.103 0 O-C-N 121.376 -0.827 . . . . 0.0 113.074 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -127.24 90.1 3.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.12 0.962 . . . . 0.0 110.18 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -158.93 85.72 0.82 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -68.96 0.61 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -176.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -74.23 116.17 14.57 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.259 1.024 . . . . 0.0 108.542 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.14 87.78 2.6 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.969 0.89 . . . . 0.0 111.416 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.46 86.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -75.05 127.32 32.94 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.979 -1.075 . . . . 0.0 110.594 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.9 p -76.18 97.54 4.16 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.095 0.474 . . . . 0.0 111.042 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 122.954 1.359 . . . . 0.0 109.619 -179.501 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm -79.95 116.44 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -86.14 5.33 34.42 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 118.305 2.706 . . . . 0.0 118.305 -177.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.46 102.59 2.51 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.02 127.64 36.63 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.939 0.496 . . . . 0.0 109.861 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -130.81 103.42 6.57 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.43 -83.89 0.36 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -84.11 111.01 18.94 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -91.51 89.3 7.14 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.879 0.847 . . . . 0.0 109.979 -178.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -141.61 80.77 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.374 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t -58.68 139.31 56.25 Favored 'General case' 0 N--CA 1.507 2.397 0 CA-C-N 119.871 1.214 . . . . 0.0 112.502 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -75.75 100.62 4.77 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.853 0.461 . . . . 0.0 111.215 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 122.895 1.331 . . . . 0.0 109.616 -179.645 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.1 mm -95.37 116.58 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -114.01 50.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.75 90.45 0.74 Allowed Glycine 0 N--CA 1.489 2.185 0 O-C-N 121.737 -0.602 . . . . 0.0 111.949 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.97 108.38 8.36 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.44 0.638 . . . . 0.0 109.391 -179.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -146.26 104.66 3.82 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.1 -70.52 0.56 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 107.129 -2.389 . . . . 0.0 107.129 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -78.67 109.62 13.06 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 175.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -114.69 83.54 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.297 0.57 . . . . 0.0 111.167 -177.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.0 OUTLIER -156.4 86.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.642 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 t -56.21 129.32 39.71 Favored 'General case' 0 N--CA 1.507 2.419 0 CA-C-N 120.419 1.463 . . . . 0.0 113.426 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -81.82 96.49 7.63 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.854 0.462 . . . . 0.0 110.591 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 122.959 1.361 . . . . 0.0 111.162 -179.762 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.24 115.06 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -124.65 41.54 3.48 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.8 118.53 2.6 Favored Glycine 0 N--CA 1.489 2.193 0 O-C-N 121.402 -0.811 . . . . 0.0 114.241 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -133.5 84.97 2.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.958 0.885 . . . . 0.0 108.959 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -156.24 85.84 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 178.598 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.17 -77.26 0.51 Allowed Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.236 -1.946 . . . . 0.0 108.236 -176.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -79.11 116.79 19.61 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 177.274 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.76 92.16 5.19 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.925 0.869 . . . . 0.0 109.697 -178.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER -135.54 80.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.816 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.271 2.3 t -79.65 117.34 20.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p -87.12 103.99 15.92 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 122.922 0.489 . . . . 0.0 109.841 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 122.971 1.367 . . . . 0.0 111.725 -179.749 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -77.53 113.07 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 123.877 0.736 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.407 ' H ' ' HB2' ' A' ' 11' ' ' DAB . 6.3 m0 -101.1 4.38 42.12 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 117.336 2.347 . . . . 0.0 117.336 -178.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.14 102.52 1.99 Allowed Glycine 0 N--CA 1.489 2.201 0 CA-C-N 119.781 1.173 . . . . 0.0 110.931 -179.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -133.22 117.29 17.24 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 117.236 0.518 . . . . 0.0 109.772 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -105.83 87.59 2.62 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.017 0.927 . . . . 0.0 108.78 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.22 -92.81 0.23 Allowed Glycine 0 N--CA 1.482 1.759 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -87.62 107.52 18.64 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.02 89.55 7.63 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.426 1.108 . . . . 0.0 110.281 -178.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 0.1 OUTLIER -141.76 81.13 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.714 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' DAB . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -155.4 149.1 25.29 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.853 1.66 . . . . 0.0 110.632 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.1 p -79.43 112.0 16.24 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.301 0.64 . . . . 0.0 110.136 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.099 1.904 . . . . 0.0 110.696 -179.84 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 mm -72.63 117.33 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.05 0.844 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -71.97 -18.16 62.01 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -178.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.21 100.93 0.61 Allowed Glycine 0 N--CA 1.485 1.956 0 CA-C-N 119.194 0.907 . . . . 0.0 111.816 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -141.38 123.0 15.15 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -88.69 82.83 6.77 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.785 0.834 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.72 -96.38 0.22 Allowed Glycine 0 N--CA 1.482 1.712 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -82.3 113.88 20.4 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.233 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.31 84.07 7.76 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.923 0.868 . . . . 0.0 111.018 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.266 0.2 OUTLIER -145.75 78.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.453 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.1 t -156.96 128.44 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.633 -1.292 . . . . 0.0 109.671 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -108.09 109.75 21.26 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 124.183 1.944 . . . . 0.0 110.748 -179.833 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.06 117.66 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 124.093 0.871 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -73.89 -17.04 61.09 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 118.643 2.831 . . . . 0.0 118.643 -178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.12 101.86 0.64 Allowed Glycine 0 N--CA 1.485 1.931 0 CA-C-N 119.383 0.992 . . . . 0.0 112.062 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -142.21 122.25 13.71 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -88.2 82.59 7.08 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 121.836 0.826 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.56 -97.19 0.21 Allowed Glycine 0 N--CA 1.48 1.587 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -179.493 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -83.41 115.27 21.97 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.156 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -83.43 84.26 7.58 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.989 0.9 . . . . 0.0 110.885 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -145.76 79.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.718 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -156.83 125.37 5.75 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.5 p -99.27 99.88 10.9 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.191 1.948 . . . . 0.0 110.707 -179.731 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -73.17 117.76 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.079 0.862 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -71.86 -18.24 62.07 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 -178.371 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.34 101.61 0.67 Allowed Glycine 0 N--CA 1.485 1.94 0 CA-C-N 119.289 0.95 . . . . 0.0 111.731 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -141.45 122.54 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -88.26 82.34 7.1 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 121.892 0.853 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.94 -97.34 0.21 Allowed Glycine 0 N--CA 1.481 1.691 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -83.4 115.62 22.12 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.77 84.21 7.64 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.009 0.909 . . . . 0.0 110.921 -179.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -145.79 80.26 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.677 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t -157.21 130.61 7.93 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.524 -1.36 . . . . 0.0 109.812 -179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.4 p -110.59 106.52 15.82 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.139 1.923 . . . . 0.0 110.836 -179.894 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mm -73.18 117.82 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 123.976 0.798 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -72.38 -18.08 61.76 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -178.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.46 101.67 0.62 Allowed Glycine 0 N--CA 1.485 1.931 0 CA-C-N 119.352 0.978 . . . . 0.0 111.824 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -141.61 123.53 15.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.742 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -88.94 82.08 6.77 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 121.889 0.852 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.62 -97.49 0.21 Allowed Glycine 0 N--CA 1.481 1.692 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -82.93 115.98 22.02 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.218 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.8 84.02 7.71 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.893 0.854 . . . . 0.0 110.856 -178.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -146.37 80.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 t -158.4 123.47 4.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.704 -1.247 . . . . 0.0 109.14 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -97.55 101.59 13.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.583 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 124.174 1.94 . . . . 0.0 111.18 -179.682 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.73 117.57 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 124.042 0.839 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -71.87 -19.65 61.92 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 118.342 2.719 . . . . 0.0 118.342 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.34 97.53 0.37 Allowed Glycine 0 N--CA 1.484 1.884 0 CA-C-N 119.095 0.862 . . . . 0.0 111.654 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -142.75 119.48 11.15 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -92.51 83.42 4.94 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.789 0.836 . . . . 0.0 110.329 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.23 -90.19 0.16 Allowed Glycine 0 N--CA 1.481 1.689 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -89.52 106.29 18.36 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 mp -83.63 84.52 7.51 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.202 1.001 . . . . 0.0 110.613 -178.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.267 0.1 OUTLIER -147.99 79.16 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.277 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -155.54 149.61 25.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.529 -1.357 . . . . 0.0 111.109 -179.079 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 p -83.07 103.73 12.73 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.229 1.966 . . . . 0.0 110.68 -179.759 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.54 112.94 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 123.887 0.742 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -121.71 93.85 4.13 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.45 86.84 0.13 Allowed Glycine 0 N--CA 1.481 1.656 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.94 118.48 10.96 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.081 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -89.74 81.52 6.39 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.847 0.859 . . . . 0.0 110.763 179.329 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.74 -84.91 0.19 Allowed Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -178.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -83.58 92.6 7.68 Favored 'General case' 0 CA--C 1.561 1.401 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? -82.48 73.3 9.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -178.386 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.28 9.5 tp -163.59 70.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 C-N-CA 124.507 1.123 . . . . 0.0 108.285 178.323 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -132.77 104.75 6.77 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.754 1.615 . . . . 0.0 107.176 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -80.88 122.89 27.78 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.168 0.587 . . . . 0.0 111.405 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 124.203 1.954 . . . . 0.0 110.573 -179.933 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.44 111.54 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.64 0 O-C-N 123.894 0.746 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -129.85 97.18 4.42 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.9 86.89 0.11 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -141.5 119.97 12.38 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -89.94 81.5 6.27 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.751 0.821 . . . . 0.0 110.676 179.324 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.42 0.2 Allowed Glycine 0 N--CA 1.481 1.673 0 N-CA-C 109.406 -1.477 . . . . 0.0 109.406 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -83.44 92.05 7.49 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.822 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? -82.35 73.96 9.35 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.335 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.28 8.8 tp -163.23 70.19 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.579 0 C-N-CA 124.526 1.13 . . . . 0.0 108.338 178.376 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 m -118.92 100.18 7.21 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 121.098 1.772 . . . . 0.0 106.263 178.363 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -86.17 116.97 24.7 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.098 0.559 . . . . 0.0 110.57 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 124.174 1.94 . . . . 0.0 108.908 -179.813 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.4 ' O ' HD12 ' A' ' 2' ' ' ILE . 2.7 pp -73.03 112.13 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 123.816 0.697 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -127.7 95.94 4.38 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.69 0.12 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.268 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -140.69 120.15 13.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -91.55 82.33 5.33 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 121.838 0.828 . . . . 0.0 110.497 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.1 -84.37 0.21 Allowed Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -178.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -83.06 92.6 7.42 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 9' ' ' LEU 0.251 2.4 pt? -82.55 72.08 9.62 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -178.322 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 9.3 tp -161.66 69.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.32 1.048 . . . . 0.0 108.633 178.292 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.1 m -126.44 102.39 7.11 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.805 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -83.66 113.28 20.75 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.085 0.554 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.099 1.904 . . . . 0.0 108.839 -179.756 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.63 110.39 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 123.832 0.708 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -125.02 95.54 4.54 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.29 85.47 0.13 Allowed Glycine 0 N--CA 1.481 1.687 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -139.67 117.35 11.55 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -89.66 82.45 6.32 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.967 0.889 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.56 -86.49 0.18 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.055 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -84.81 92.84 8.35 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 9' ' ' LEU 0.251 2.4 pt? -82.94 75.12 9.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.215 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.291 9.3 tp -160.61 68.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 C-N-CA 124.316 1.046 . . . . 0.0 108.658 178.153 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -131.46 100.53 5.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.203 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -80.55 121.63 26.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.204 0.601 . . . . 0.0 111.211 -179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 124.165 1.936 . . . . 0.0 108.982 -179.874 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.261 2.8 pp -74.47 116.97 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.43 0.692 . . . . 0.0 110.768 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.8 95.13 3.07 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.265 0.555 . . . . 0.0 109.719 -178.72 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.67 92.73 0.1 Allowed Glycine 0 N--CA 1.481 1.637 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.07 121.89 16.53 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -88.76 82.28 6.84 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.929 0.891 . . . . 0.0 110.854 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.56 -87.53 0.17 Allowed Glycine 0 N--CA 1.482 1.727 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -85.34 91.95 8.32 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.185 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 9' ' ' LEU 0.262 2.5 pt? -81.93 74.17 8.93 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.214 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 10.2 tp -164.74 70.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.582 0 C-N-CA 124.452 1.101 . . . . 0.0 108.554 178.175 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -134.73 105.85 6.65 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -82.0 125.03 30.32 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.12 0.568 . . . . 0.0 111.32 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 124.21 1.957 . . . . 0.0 110.981 -179.911 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 2.6 pp -75.31 110.69 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 C-N-CA 123.586 0.754 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -108.17 92.44 4.06 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.091 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 86.92 0.11 Allowed Glycine 0 N--CA 1.482 1.725 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.903 -179.809 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -147.93 128.72 14.3 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -84.15 83.62 7.9 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-O 122.08 0.943 . . . . 0.0 111.792 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.54 -90.42 0.17 Allowed Glycine 0 N--CA 1.481 1.684 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -179.026 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -86.75 94.47 9.53 Favored 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.28 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 9' ' ' LEU 0.257 2.5 pt? -80.28 70.6 6.96 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.318 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.288 8.1 tp -162.41 70.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 124.19 0.996 . . . . 0.0 109.02 178.557 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -151.75 125.75 9.17 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 104.219 -2.511 . . . . 0.0 104.219 178.468 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -67.24 128.03 34.85 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.226 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 124.076 1.893 . . . . 0.0 110.695 -179.804 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.48 110.27 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 123.873 0.733 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -124.99 95.62 4.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.97 85.18 0.13 Allowed Glycine 0 N--CA 1.48 1.58 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.216 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -139.74 115.93 10.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -87.93 82.02 7.36 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.847 0.859 . . . . 0.0 111.361 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.94 -87.96 0.17 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 109.029 -1.628 . . . . 0.0 109.029 -179.141 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -86.0 93.98 9.1 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.718 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 9' ' ' LEU 0.252 2.5 pt? -83.49 78.03 9.73 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.213 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.294 9.3 tp -160.03 67.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.235 1.014 . . . . 0.0 108.825 178.062 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -131.14 100.29 5.16 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 179.105 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -80.69 118.35 22.16 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.058 0.543 . . . . 0.0 111.074 -179.732 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 123.064 1.411 . . . . 0.0 110.007 -179.771 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.17 111.62 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 123.886 0.741 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -130.04 97.46 4.47 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 85.17 0.12 Allowed Glycine 0 N--CA 1.48 1.618 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.343 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -140.47 117.34 11.05 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -87.3 81.7 7.82 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 122.079 0.942 . . . . 0.0 111.58 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.18 -87.62 0.17 Allowed Glycine 0 N--CA 1.481 1.665 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -179.159 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -86.31 93.35 9.06 Favored 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.574 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 9' ' ' LEU 0.251 2.5 pt? -83.15 79.95 9.21 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.298 1.047 . . . . 0.0 113.781 -178.267 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.287 8.8 tp -161.85 67.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.662 178.245 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -120.13 98.9 6.29 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 178.265 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -84.75 121.17 27.3 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.07 0.548 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 123.009 1.385 . . . . 0.0 111.849 -179.92 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.36 134.53 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 124.36 1.038 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -136.38 67.68 1.45 Allowed 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.653 0.739 . . . . 0.0 109.813 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -70.63 1.83 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 114.413 0.525 . . . . 0.0 114.413 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.99 130.22 42.42 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.496 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -107.55 89.79 3.1 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.352 1.061 . . . . 0.0 109.786 -179.734 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.05 -94.89 0.11 Allowed Glycine 0 N--CA 1.481 1.648 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -83.31 104.35 13.41 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -81.83 77.05 8.71 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.415 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.27 0.1 OUTLIER -154.4 72.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 176.946 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 m -79.45 107.6 12.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.557 -1.339 . . . . 0.0 110.277 -178.633 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -148.31 125.28 11.32 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 124.344 2.021 . . . . 0.0 110.622 179.991 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.28 134.17 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 124.381 1.05 . . . . 0.0 109.743 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -136.16 71.47 1.42 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.814 0.816 . . . . 0.0 109.786 -177.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.7 -72.94 1.64 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -70.97 130.5 41.75 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -105.95 93.64 4.74 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.006 0.923 . . . . 0.0 109.947 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.71 -92.44 0.09 OUTLIER Glycine 0 N--CA 1.479 1.556 0 N-CA-C 108.392 -1.883 . . . . 0.0 108.392 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.93 113.69 21.15 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.058 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -83.27 72.3 10.19 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.461 1.124 . . . . 0.0 113.114 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 81.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 178.713 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -74.43 97.1 3.0 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 120.832 1.651 . . . . 0.0 110.668 -179.699 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.5 t -157.25 130.69 7.93 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.623 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 124.394 2.045 . . . . 0.0 110.815 -179.979 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.46 132.04 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 124.252 0.97 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -136.56 69.24 1.42 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.995 0.903 . . . . 0.0 110.217 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.86 -75.57 0.7 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 179.484 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.55 124.67 24.8 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -178.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -97.74 94.68 7.08 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.183 0.993 . . . . 0.0 110.0 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.5 -79.28 0.14 Allowed Glycine 0 N--CA 1.48 1.606 0 N-CA-C 108.201 -1.96 . . . . 0.0 108.201 -179.289 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -79.55 110.39 14.83 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 177.825 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.37 61.28 6.54 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.26 0.0 OUTLIER -161.34 80.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 178.241 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -85.66 104.32 15.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.43 -1.418 . . . . 0.0 109.374 -178.901 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -148.45 128.86 13.91 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.674 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 124.419 2.057 . . . . 0.0 110.633 -179.997 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt -128.77 134.17 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 124.317 1.011 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -137.44 68.31 1.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.684 0.754 . . . . 0.0 109.508 -177.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.49 -71.94 1.78 Allowed Glycine 0 N--CA 1.489 2.187 0 O-C-N 121.975 -0.453 . . . . 0.0 113.695 -179.329 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.76 133.52 49.4 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -113.87 94.71 4.96 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.256 1.022 . . . . 0.0 109.037 179.745 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.85 -87.4 0.1 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.555 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -85.13 95.24 9.07 Favored 'General case' 0 CA--C 1.56 1.363 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 177.603 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.2 mt -80.66 76.25 7.54 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.134 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.272 0.1 OUTLIER -158.12 74.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.532 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 177.049 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 m -79.57 110.12 14.59 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.348 -1.47 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -87.35 124.76 33.72 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.252 0.621 . . . . 0.0 110.682 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 124.379 2.038 . . . . 0.0 110.695 -179.952 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.6 mm -74.44 109.39 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 123.984 0.802 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -132.89 98.39 4.29 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.685 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.12 86.89 0.11 Allowed Glycine 0 N--CA 1.481 1.686 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.399 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.49 145.35 36.78 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.54 0.686 . . . . 0.0 110.956 -178.621 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -117.3 99.12 6.8 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.097 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.44 -85.0 0.36 Allowed Glycine 0 N--CA 1.483 1.812 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -178.619 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.56 96.72 10.74 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.469 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.61 78.46 8.51 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.938 0.875 . . . . 0.0 112.149 -178.51 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.293 8.8 tp -163.07 68.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.54 0 C-N-CA 124.465 1.106 . . . . 0.0 108.376 178.007 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.3 m -129.79 117.6 20.5 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 179.13 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -81.06 103.51 10.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 123.175 0.59 . . . . 0.0 110.132 -179.81 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 124.341 2.02 . . . . 0.0 110.495 -179.664 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 mm -78.88 109.55 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -124.2 94.41 4.21 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.684 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.67 86.48 0.16 Allowed Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 179.008 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -130.63 112.09 12.82 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.46 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -88.2 84.19 6.91 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 121.968 0.89 . . . . 0.0 111.137 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.76 -95.0 0.16 Allowed Glycine 0 N--CA 1.481 1.689 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.516 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -91.08 112.93 25.04 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.516 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.38 87.03 7.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 122.111 0.958 . . . . 0.0 110.569 -178.602 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.272 10.9 tp -151.54 75.33 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.381 178.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -156.61 112.98 3.03 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.049 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -90.66 101.07 13.82 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 124.026 1.87 . . . . 0.0 108.627 -179.592 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.6 mm -78.96 102.96 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.7 0 O-C-N 123.865 0.728 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -111.01 91.8 3.8 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 178.565 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.81 96.83 0.23 Allowed Glycine 0 N--CA 1.484 1.846 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.893 -179.297 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.16 119.9 13.37 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.795 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -86.82 85.8 7.29 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 121.899 0.857 . . . . 0.0 111.338 -179.548 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 -94.24 0.18 Allowed Glycine 0 N--CA 1.481 1.644 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -89.75 113.18 24.67 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.781 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.0 87.24 7.35 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.025 0.917 . . . . 0.0 110.008 -179.094 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 10.9 tp -147.7 72.49 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.702 178.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -63.71 105.4 0.8 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 119.139 0.882 . . . . 0.0 111.906 -178.898 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.2 p -139.21 132.45 29.87 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.953 -1.022 . . . . 0.0 108.491 -178.535 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 122.919 1.342 . . . . 0.0 112.758 179.813 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.7 mm -80.95 116.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.61 105.35 3.57 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 121.147 0.499 . . . . 0.0 110.674 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.42 86.56 0.13 Allowed Glycine 0 N--CA 1.481 1.681 0 N-CA-C 107.466 -2.254 . . . . 0.0 107.466 178.548 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -126.96 124.49 39.57 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.007 0.523 . . . . 0.0 110.315 -177.881 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -136.82 104.99 5.67 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.082 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.36 -80.85 0.38 Allowed Glycine 0 N--CA 1.483 1.781 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -177.882 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -84.46 113.37 21.15 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.06 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tt -99.79 91.62 4.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.54 0.686 . . . . 0.0 109.381 -179.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.316 9.5 tp -145.05 55.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.03 178.348 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 m -90.43 95.17 10.05 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 121.384 1.902 . . . . 0.0 107.658 179.246 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.1 p -104.27 103.63 13.41 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.242 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.839 1.304 . . . . 0.0 112.456 -179.858 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -79.57 107.32 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -105.7 88.22 2.78 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.874 0.845 . . . . 0.0 108.856 179.288 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.71 83.47 0.17 Allowed Glycine 0 N--CA 1.48 1.577 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 179.044 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -132.52 116.81 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -178.312 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -91.02 91.95 8.53 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.707 0.803 . . . . 0.0 110.123 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.64 -88.39 0.22 Allowed Glycine 0 N--CA 1.481 1.687 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -179.226 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.59 94.72 9.53 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.37 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 tp -86.62 77.72 9.31 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 122.452 1.12 . . . . 0.0 112.57 -178.319 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.257 7.9 tp -161.25 73.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.668 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -91.99 98.26 11.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.899 1.681 . . . . 0.0 107.921 178.446 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -96.94 111.28 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.343 0.657 . . . . 0.0 109.301 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 122.909 1.337 . . . . 0.0 112.463 -179.816 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 mm -81.72 114.79 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.01 108.36 3.78 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.815 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.34 91.29 0.12 Allowed Glycine 0 N--CA 1.481 1.643 0 N-CA-C 108.125 -1.99 . . . . 0.0 108.125 179.12 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.19 146.74 47.17 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.042 0.925 . . . . 0.0 112.13 -178.059 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -140.46 102.89 4.44 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 178.301 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 -82.31 0.31 Allowed Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.916 -1.674 . . . . 0.0 108.916 -178.027 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.47 93.03 8.22 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.808 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.58 77.7 8.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.241 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.279 10.8 tp -159.09 75.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.529 0.732 . . . . 0.0 109.912 178.757 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -164.16 134.46 4.17 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.98 -1.075 . . . . 0.0 108.751 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -86.53 98.77 11.24 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 122.886 1.327 . . . . 0.0 109.801 -179.686 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.0 mm -79.0 109.81 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -127.01 97.12 4.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.702 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.91 90.03 0.13 Allowed Glycine 0 N--CA 1.479 1.554 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.389 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.52 122.05 23.04 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.023 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -92.47 88.2 6.27 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 121.69 0.757 . . . . 0.0 110.011 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.29 -97.27 0.23 Allowed Glycine 0 N--CA 1.48 1.628 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 -179.449 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -86.2 115.55 23.83 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.083 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.4 mt -84.89 86.51 7.36 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.011 0.91 . . . . 0.0 110.818 -179.142 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.268 10.6 tp -151.42 77.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.153 179.013 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -155.86 130.64 9.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.876 -1.14 . . . . 0.0 109.193 179.52 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -89.18 102.09 14.74 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 124.274 1.988 . . . . 0.0 110.618 -179.693 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.8 106.31 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -89.48 87.49 7.09 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.2 1.0 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.36 87.2 0.18 Allowed Glycine 0 N--CA 1.482 1.739 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 178.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -140.26 153.2 46.44 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.16 0.981 . . . . 0.0 111.773 -178.723 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -130.82 99.17 4.84 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 178.43 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.47 -83.5 0.35 Allowed Glycine 0 N--CA 1.485 1.927 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -82.94 95.32 7.95 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.0 77.04 8.5 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.636 0.731 . . . . 0.0 112.814 -177.527 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 10.8 tp -162.07 77.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.75 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -161.34 129.29 4.26 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.989 -1.069 . . . . 0.0 108.778 179.03 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 p -88.13 103.68 15.97 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 124.344 2.021 . . . . 0.0 110.682 -179.761 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.33 115.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 123.918 0.761 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -73.43 -2.29 21.81 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.26 -79.7 0.05 OUTLIER Glycine 0 CA--C 1.54 1.607 0 CA-C-N 119.843 1.201 . . . . 0.0 113.147 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.28 133.01 35.22 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -90.2 83.82 6.04 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.938 0.895 . . . . 0.0 110.335 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.12 -91.69 0.16 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -87.87 94.97 9.93 Favored 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.5 tp -82.62 75.73 9.51 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -138.13 40.36 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.855 0 C-N-CA 124.123 0.969 . . . . 0.0 112.885 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.259 17.1 p -72.69 -85.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.036 -1.04 . . . . 0.0 110.121 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -69.87 -53.53 17.6 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-N 120.715 1.598 . . . . 0.0 111.905 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 124.418 2.056 . . . . 0.0 108.998 178.621 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -81.18 112.02 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 123.839 0.712 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.253 50.7 p-90 -76.37 -26.92 56.14 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 117.075 2.25 . . . . 0.0 117.075 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.97 28.47 0.14 Allowed Glycine 0 CA--C 1.549 2.208 0 N-CA-C 117.688 1.835 . . . . 0.0 117.688 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -151.88 112.85 4.24 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 119.622 1.711 . . . . 0.0 106.394 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -81.64 86.97 6.31 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 122.081 0.943 . . . . 0.0 112.476 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.86 -99.26 0.28 Allowed Glycine 0 N--CA 1.479 1.559 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -86.15 116.38 24.31 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.1 tp -85.47 80.29 9.14 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.845 0.831 . . . . 0.0 110.987 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -125.37 45.68 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.302 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -80.67 99.13 8.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.737 -1.227 . . . . 0.0 109.417 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -124.5 -73.7 0.63 Allowed 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.867 0.867 . . . . 0.0 109.432 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.393 2.044 . . . . 0.0 110.528 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.32 112.04 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 123.89 0.744 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.252 50.9 p-90 -75.84 -27.19 57.75 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.46 29.45 0.14 Allowed Glycine 0 CA--C 1.55 2.222 0 N-CA-C 117.55 1.78 . . . . 0.0 117.55 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -152.41 112.51 4.03 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.592 1.696 . . . . 0.0 106.476 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -81.25 85.77 6.33 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 122.125 0.964 . . . . 0.0 112.613 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.53 -99.35 0.27 Allowed Glycine 0 N--CA 1.48 1.61 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -85.63 115.9 23.6 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.7 tp -85.57 80.16 9.13 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.895 0.855 . . . . 0.0 111.028 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.45 47.0 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.187 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 p -84.31 102.15 12.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.788 -1.195 . . . . 0.0 109.405 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.8 p -83.45 -64.85 1.09 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.479 0.712 . . . . 0.0 112.079 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 124.375 2.036 . . . . 0.0 110.434 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.259 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.28 114.5 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 123.952 0.782 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -73.86 -2.71 24.89 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.22 -77.73 0.04 OUTLIER Glycine 0 CA--C 1.54 1.611 0 CA-C-N 119.866 1.212 . . . . 0.0 113.121 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -80.85 131.41 35.38 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m -89.47 84.27 6.39 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 124.031 0.932 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.02 -93.03 0.18 Allowed Glycine 0 N--CA 1.482 1.744 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -85.62 96.43 9.66 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 tp -83.34 75.03 10.0 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.812 0.815 . . . . 0.0 113.162 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.21 41.97 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.81 0 C-N-CA 124.079 0.951 . . . . 0.0 112.82 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.4 p -96.07 106.59 18.78 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.921 -1.112 . . . . 0.0 109.097 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -82.59 -64.22 1.22 Allowed 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 123.271 0.628 . . . . 0.0 112.142 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 122.87 1.319 . . . . 0.0 112.455 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pp -81.58 114.14 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 123.825 0.703 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.2 p-90 -73.52 -20.49 60.64 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.66 -66.64 0.01 OUTLIER Glycine 0 CA--C 1.542 1.749 0 C-N-CA 123.658 0.647 . . . . 0.0 113.27 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -74.38 120.59 20.15 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 117.527 0.664 . . . . 0.0 112.038 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -85.96 85.84 7.37 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.173 0.989 . . . . 0.0 111.613 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.49 -94.36 0.2 Allowed Glycine 0 N--CA 1.482 1.745 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -84.59 102.48 12.93 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 tp -85.77 76.37 9.93 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.766 0.793 . . . . 0.0 112.198 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.16 51.17 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.68 0 C-N-CA 124.072 0.949 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.2 p -94.54 102.12 14.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.937 -1.102 . . . . 0.0 108.833 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.5 p -87.58 -66.7 0.88 Allowed 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 123.331 0.652 . . . . 0.0 111.865 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 122.846 1.308 . . . . 0.0 109.582 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.236 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -78.87 107.53 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.657 0 O-C-N 123.923 0.764 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -75.3 -4.84 41.5 Favored 'General case' 0 N--CA 1.5 2.036 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.62 -76.55 0.03 OUTLIER Glycine 0 N--CA 1.479 1.537 0 CA-C-N 119.427 1.012 . . . . 0.0 111.838 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.78 122.04 27.69 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.09 0.556 . . . . 0.0 110.759 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 m -87.48 84.03 7.21 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-O 122.087 0.946 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.75 -92.49 0.15 Allowed Glycine 0 N--CA 1.482 1.714 0 N-CA-C 107.854 -2.098 . . . . 0.0 107.854 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -88.91 96.7 10.81 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.2 tp -82.21 76.8 9.07 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.94 38.5 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 C-N-CA 123.997 0.919 . . . . 0.0 113.452 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -97.86 102.89 14.76 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.042 -1.037 . . . . 0.0 108.974 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 p -83.33 -64.57 1.14 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.244 0.618 . . . . 0.0 112.06 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 122.882 1.325 . . . . 0.0 112.437 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 pp -78.73 107.4 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.637 0 O-C-N 123.945 0.778 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -75.24 -4.92 41.76 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.53 -76.68 0.03 OUTLIER Glycine 0 N--CA 1.479 1.542 0 CA-C-N 119.461 1.028 . . . . 0.0 111.813 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.84 121.84 27.45 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.084 0.554 . . . . 0.0 110.708 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -87.26 84.05 7.29 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.103 0.954 . . . . 0.0 110.678 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.53 -92.07 0.15 Allowed Glycine 0 N--CA 1.48 1.595 0 N-CA-C 107.914 -2.074 . . . . 0.0 107.914 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -88.92 96.15 10.6 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 tp -82.09 76.88 8.96 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.99 38.31 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 C-N-CA 123.971 0.908 . . . . 0.0 113.409 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.5 p -96.14 100.24 11.9 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.03 -1.044 . . . . 0.0 108.997 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.6 p -91.55 -69.9 0.71 Allowed 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.366 0.666 . . . . 0.0 111.131 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 122.861 1.315 . . . . 0.0 112.343 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.46 114.63 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 123.91 0.756 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -74.15 -2.96 26.88 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 117.538 2.422 . . . . 0.0 117.538 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.57 -77.84 0.04 OUTLIER Glycine 0 CA--C 1.539 1.554 0 CA-C-N 119.836 1.198 . . . . 0.0 113.148 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -80.48 131.15 35.53 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.227 0.611 . . . . 0.0 112.605 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -89.21 84.27 6.51 Favored 'General case' 0 CA--C 1.559 1.288 0 C-N-CA 124.002 0.921 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.03 -92.98 0.18 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 108.959 -1.657 . . . . 0.0 108.959 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.93 96.74 9.9 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.22 75.46 9.94 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.56 40.92 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.82 0 C-N-CA 124.153 0.981 . . . . 0.0 112.915 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.6 p -97.55 100.66 12.08 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.989 -1.069 . . . . 0.0 108.81 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -92.69 105.43 17.58 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.179 0.592 . . . . 0.0 109.579 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 122.838 1.304 . . . . 0.0 112.467 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.69 114.18 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 123.818 0.699 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -72.6 -7.3 49.52 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.94 -75.6 0.04 OUTLIER Glycine 0 CA--C 1.539 1.555 0 CA-C-N 119.596 1.089 . . . . 0.0 113.072 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -76.86 128.71 35.09 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.215 0.606 . . . . 0.0 112.529 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -90.17 88.63 7.33 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.182 0.993 . . . . 0.0 110.803 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.06 -93.71 0.21 Allowed Glycine 0 N--CA 1.483 1.781 0 N-CA-C 108.532 -1.827 . . . . 0.0 108.532 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -85.25 100.81 12.03 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.7 tp -81.37 73.72 8.4 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.25 102.07 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.8 p -126.87 105.9 8.96 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.0 p -90.48 106.74 18.7 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.158 0.583 . . . . 0.0 109.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 122.895 1.331 . . . . 0.0 109.726 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -80.56 114.25 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 123.893 0.745 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -72.36 -7.1 47.85 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 117.608 2.447 . . . . 0.0 117.608 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.35 -75.76 0.04 OUTLIER Glycine 0 CA--C 1.54 1.609 0 CA-C-N 119.597 1.09 . . . . 0.0 113.044 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.0 129.01 35.54 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.263 0.625 . . . . 0.0 112.586 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -90.54 88.98 7.36 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 124.245 1.018 . . . . 0.0 110.65 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.9 -93.73 0.21 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -85.45 100.92 12.2 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 tp -81.26 73.72 8.28 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -145.46 102.41 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -128.85 115.64 18.21 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.126 -0.984 . . . . 0.0 108.517 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 63.3 p -89.24 104.68 17.21 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.075 0.55 . . . . 0.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 124.32 2.01 . . . . 0.0 110.7 -179.738 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.6 mm -80.78 110.03 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 124.039 0.837 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -85.83 -8.64 57.95 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 118.435 2.754 . . . . 0.0 118.435 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.58 99.87 0.27 Allowed Glycine 0 N--CA 1.486 1.984 0 CA-C-N 120.239 1.381 . . . . 0.0 111.404 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -141.28 139.83 33.74 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.545 0.688 . . . . 0.0 110.742 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -136.91 103.1 5.06 Favored 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.79 -83.08 0.37 Allowed Glycine 0 N--CA 1.483 1.818 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.26 115.36 22.98 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.3 tp -94.13 90.0 6.21 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 121.885 0.85 . . . . 0.0 110.224 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.31 83.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.3 m -85.02 116.48 23.43 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 t -78.07 127.45 32.33 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 122.767 0.427 . . . . 0.0 111.569 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 124.347 2.022 . . . . 0.0 110.592 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.292 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mm -84.23 105.21 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 123.975 0.797 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -97.02 4.82 51.29 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 117.406 2.373 . . . . 0.0 117.406 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.8 106.16 3.06 Favored Glycine 0 N--CA 1.489 2.212 0 CA-C-N 120.385 1.448 . . . . 0.0 110.443 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -127.33 129.55 47.84 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.403 0.62 . . . . 0.0 111.264 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -139.76 106.24 5.32 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -77.71 0.39 Allowed Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -80.92 100.11 8.72 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 107.429 -1.322 . . . . 0.0 107.429 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.7 tp -95.12 78.19 3.52 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.266 0.0 OUTLIER -158.28 82.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 177.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.8 m -89.41 96.99 10.94 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 121.294 1.861 . . . . 0.0 107.97 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -93.71 124.64 37.85 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.337 0.655 . . . . 0.0 110.56 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.43 2.062 . . . . 0.0 110.689 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.9 mm -77.26 106.81 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 123.895 0.747 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 41.5 p-90 -87.35 -7.63 57.56 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.69 98.42 0.25 Allowed Glycine 0 N--CA 1.485 1.955 0 CA-C-N 120.058 1.299 . . . . 0.0 110.718 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -141.25 131.33 24.7 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.994 0.517 . . . . 0.0 109.845 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -129.85 101.66 5.96 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.99 -80.67 0.4 Allowed Glycine 0 N--CA 1.485 1.904 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -82.59 109.65 16.98 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 tp -92.86 91.06 7.26 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.929 0.871 . . . . 0.0 110.177 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.1 OUTLIER -143.07 80.86 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 m -97.69 102.23 13.94 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.252 -0.905 . . . . 0.0 108.651 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -100.28 123.32 44.36 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 123.233 0.613 . . . . 0.0 109.925 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 124.366 2.031 . . . . 0.0 110.664 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -87.78 108.76 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.7 p-90 -84.07 0.78 46.99 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 117.845 2.535 . . . . 0.0 117.845 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.28 78.35 1.39 Allowed Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -84.7 113.89 21.63 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.488 0.661 . . . . 0.0 111.975 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -142.96 103.65 4.2 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.84 -77.78 0.54 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -81.06 118.05 22.17 Favored 'General case' 0 CA--C 1.563 1.468 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.2 tp -109.18 91.54 3.68 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.571 0.7 . . . . 0.0 110.326 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.263 0.1 OUTLIER -148.86 77.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.9 m -82.6 119.08 23.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.127 -0.983 . . . . 0.0 110.024 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -143.92 129.8 19.41 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.269 0.628 . . . . 0.0 109.401 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 124.42 2.057 . . . . 0.0 110.598 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm -82.67 105.73 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 123.834 0.709 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -112.32 68.49 0.67 Allowed 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 122.588 1.185 . . . . 0.0 109.023 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.35 82.68 0.62 Allowed Glycine 0 N--CA 1.488 2.166 0 CA-C-N 114.718 -1.128 . . . . 0.0 114.136 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -141.6 122.05 14.09 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -133.54 105.1 6.7 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.87 -79.47 0.43 Allowed Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -84.91 109.25 18.0 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -98.9 90.95 4.83 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 122.127 0.965 . . . . 0.0 109.397 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.261 0.1 OUTLIER -139.78 79.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -79.93 110.35 15.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.948 -1.095 . . . . 0.0 109.404 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.4 t -81.36 128.53 33.94 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.06 0.544 . . . . 0.0 111.488 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 124.352 2.025 . . . . 0.0 110.654 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 mm -76.2 110.46 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 124.045 0.84 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.294 45.3 p-90 -74.9 -29.04 60.87 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 118.396 2.739 . . . . 0.0 118.396 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 111.43 0.45 Allowed Glycine 0 N--CA 1.482 1.741 0 CA-C-N 119.086 0.857 . . . . 0.0 113.668 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -145.2 126.74 15.08 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -87.64 85.19 7.05 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 121.73 0.776 . . . . 0.0 111.065 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.51 -93.68 0.29 Allowed Glycine 0 N--CA 1.482 1.737 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.08 109.07 15.29 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.245 0.618 . . . . 0.0 109.574 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.24 83.56 7.93 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 122.069 0.937 . . . . 0.0 111.645 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER -143.98 76.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -75.97 114.6 14.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.819 -1.176 . . . . 0.0 111.839 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -113.22 124.76 53.28 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.727 0.811 . . . . 0.0 109.068 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 124.352 2.025 . . . . 0.0 110.701 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 mm -75.84 110.4 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 123.968 0.793 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.295 47.3 p-90 -75.42 -29.21 59.68 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 118.359 2.726 . . . . 0.0 118.359 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.74 112.29 0.5 Allowed Glycine 0 N--CA 1.482 1.714 0 CA-C-N 119.06 0.845 . . . . 0.0 113.664 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -145.44 125.8 13.95 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -86.13 83.92 7.62 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 121.79 0.805 . . . . 0.0 111.322 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.79 -93.64 0.28 Allowed Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -81.2 108.68 15.05 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.365 0.666 . . . . 0.0 109.521 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.3 mt -83.99 83.6 7.89 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-O 122.112 0.958 . . . . 0.0 111.84 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.276 0.2 OUTLIER -144.19 76.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.1 m -76.97 111.57 12.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.899 -1.126 . . . . 0.0 111.735 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 t -106.24 121.04 43.39 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.623 0.769 . . . . 0.0 109.082 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.359 2.028 . . . . 0.0 110.595 -179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.9 mm -83.12 111.17 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 124.119 0.887 . . . . 0.0 108.745 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . 0.3 34.0 p-90 -74.13 -21.8 59.73 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 101.4 0.18 Allowed Glycine 0 N--CA 1.482 1.746 0 CA-C-N 119.784 1.175 . . . . 0.0 113.301 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -148.19 131.49 16.53 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 123.211 0.604 . . . . 0.0 109.486 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -108.3 90.77 3.4 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.02 -92.9 0.25 Allowed Glycine 0 N--CA 1.482 1.742 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 108.0 19.4 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.91 86.86 7.35 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 122.243 1.021 . . . . 0.0 111.186 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.1 OUTLIER -146.25 79.67 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -67.89 122.62 18.56 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.498 -1.376 . . . . 0.0 111.741 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -83.19 127.69 33.84 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.313 0.645 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 124.324 2.011 . . . . 0.0 110.607 -179.902 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -83.96 110.53 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -81.07 -0.72 41.17 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 118.628 2.825 . . . . 0.0 118.628 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.37 82.15 1.64 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -88.67 117.72 27.84 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.603 0.715 . . . . 0.0 112.865 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -150.43 104.83 3.26 Favored 'General case' 0 CA--C 1.554 1.111 0 N-CA-C 104.437 -2.431 . . . . 0.0 104.437 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.6 -74.59 0.74 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.66 114.75 17.84 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.49 87.4 2.54 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.453 0.644 . . . . 0.0 111.097 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.11 83.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.8 m -133.76 88.57 2.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -159.24 136.44 9.75 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 124.439 2.066 . . . . 0.0 110.848 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.6 mm -91.56 112.87 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -111.65 31.16 6.37 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.44 113.52 3.12 Favored Glycine 0 N--CA 1.488 2.103 0 O-C-N 121.376 -0.827 . . . . 0.0 113.074 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -127.24 90.1 3.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.12 0.962 . . . . 0.0 110.18 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -158.93 85.72 0.82 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.81 -68.96 0.61 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -176.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -74.23 116.17 14.57 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.259 1.024 . . . . 0.0 108.542 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -110.14 87.78 2.6 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.969 0.89 . . . . 0.0 111.416 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.46 86.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -75.05 127.32 32.94 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.979 -1.075 . . . . 0.0 110.594 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.9 p -76.18 97.54 4.16 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.095 0.474 . . . . 0.0 111.042 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 122.954 1.359 . . . . 0.0 109.619 -179.501 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm -79.95 116.44 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -86.14 5.33 34.42 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 118.305 2.706 . . . . 0.0 118.305 -177.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.46 102.59 2.51 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.02 127.64 36.63 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 122.939 0.496 . . . . 0.0 109.861 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -130.81 103.42 6.57 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.43 -83.89 0.36 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -84.11 111.01 18.94 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.8 mt -91.51 89.3 7.14 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 121.879 0.847 . . . . 0.0 109.979 -178.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -141.61 80.77 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.374 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 t -58.68 139.31 56.25 Favored 'General case' 0 N--CA 1.507 2.397 0 CA-C-N 119.871 1.214 . . . . 0.0 112.502 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.7 p -75.75 100.62 4.77 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 122.853 0.461 . . . . 0.0 111.215 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 122.895 1.331 . . . . 0.0 109.616 -179.645 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.1 mm -95.37 116.58 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -114.01 50.8 0.9 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.75 90.45 0.74 Allowed Glycine 0 N--CA 1.489 2.185 0 O-C-N 121.737 -0.602 . . . . 0.0 111.949 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.97 108.38 8.36 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.44 0.638 . . . . 0.0 109.391 -179.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -146.26 104.66 3.82 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 103.825 -2.657 . . . . 0.0 103.825 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.1 -70.52 0.56 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 107.129 -2.389 . . . . 0.0 107.129 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -78.67 109.62 13.06 Favored 'General case' 0 CA--C 1.559 1.32 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 175.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.6 mt -114.69 83.54 1.91 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.297 0.57 . . . . 0.0 111.167 -177.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.0 OUTLIER -156.4 86.09 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 178.642 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 t -56.21 129.32 39.71 Favored 'General case' 0 N--CA 1.507 2.419 0 CA-C-N 120.419 1.463 . . . . 0.0 113.426 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -81.82 96.49 7.63 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 122.854 0.462 . . . . 0.0 110.591 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 122.959 1.361 . . . . 0.0 111.162 -179.762 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.24 115.06 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -124.65 41.54 3.48 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 114.657 1.355 . . . . 0.0 114.657 -179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.8 118.53 2.6 Favored Glycine 0 N--CA 1.489 2.193 0 O-C-N 121.402 -0.811 . . . . 0.0 114.241 178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -133.5 84.97 2.17 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.958 0.885 . . . . 0.0 108.959 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -156.24 85.84 1.01 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 103.946 -2.612 . . . . 0.0 103.946 178.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.17 -77.26 0.51 Allowed Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.236 -1.946 . . . . 0.0 108.236 -176.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -79.11 116.79 19.61 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 177.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.76 92.16 5.19 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.925 0.869 . . . . 0.0 109.697 -178.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 0.2 OUTLIER -135.54 80.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.816 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.271 2.3 t -79.65 117.34 20.48 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.837 -1.165 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 p -87.12 103.99 15.92 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 122.922 0.489 . . . . 0.0 109.841 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 122.971 1.367 . . . . 0.0 111.725 -179.749 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.8 mm -77.53 113.07 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 123.877 0.736 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.407 ' H ' ' HB2' ' A' ' 11' ' ' DAB . 6.3 m0 -101.1 4.38 42.12 Favored 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 117.336 2.347 . . . . 0.0 117.336 -178.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.14 102.52 1.99 Allowed Glycine 0 N--CA 1.489 2.201 0 CA-C-N 119.781 1.173 . . . . 0.0 110.931 -179.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -133.22 117.29 17.24 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 117.236 0.518 . . . . 0.0 109.772 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -105.83 87.59 2.62 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 124.017 0.927 . . . . 0.0 108.78 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.22 -92.81 0.23 Allowed Glycine 0 N--CA 1.482 1.759 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -87.62 107.52 18.64 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.02 89.55 7.63 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-O 122.426 1.108 . . . . 0.0 110.281 -178.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.256 0.1 OUTLIER -141.76 81.13 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 178.714 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -155.4 149.1 25.29 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.853 1.66 . . . . 0.0 110.632 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.1 p -79.43 112.0 16.24 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.301 0.64 . . . . 0.0 110.136 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.099 1.904 . . . . 0.0 110.696 -179.84 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 mm -72.63 117.33 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.05 0.844 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -71.97 -18.16 62.01 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 118.636 2.828 . . . . 0.0 118.636 -178.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.21 100.93 0.61 Allowed Glycine 0 N--CA 1.485 1.956 0 CA-C-N 119.194 0.907 . . . . 0.0 111.816 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -141.38 123.0 15.15 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -88.69 82.83 6.77 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.785 0.834 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.72 -96.38 0.22 Allowed Glycine 0 N--CA 1.482 1.712 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -82.3 113.88 20.4 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.31 84.07 7.76 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.923 0.868 . . . . 0.0 111.018 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.266 0.2 OUTLIER -145.75 78.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.453 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.1 t -156.96 128.44 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.633 -1.292 . . . . 0.0 109.671 -179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -108.09 109.75 21.26 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 124.183 1.944 . . . . 0.0 110.748 -179.833 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.215 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 mm -73.06 117.66 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 124.093 0.871 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -73.89 -17.04 61.09 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 118.643 2.831 . . . . 0.0 118.643 -178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.12 101.86 0.64 Allowed Glycine 0 N--CA 1.485 1.931 0 CA-C-N 119.383 0.992 . . . . 0.0 112.062 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -142.21 122.25 13.71 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -88.2 82.59 7.08 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-O 121.836 0.826 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.56 -97.19 0.21 Allowed Glycine 0 N--CA 1.48 1.587 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 -179.493 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -83.41 115.27 21.97 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.156 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -83.43 84.26 7.58 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.989 0.9 . . . . 0.0 110.885 -178.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -145.76 79.87 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 179.718 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -156.83 125.37 5.75 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.534 -1.354 . . . . 0.0 109.438 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.5 p -99.27 99.88 10.9 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.191 1.948 . . . . 0.0 110.707 -179.731 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.2 mm -73.17 117.76 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 124.079 0.862 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -71.86 -18.24 62.07 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 118.529 2.789 . . . . 0.0 118.529 -178.371 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.34 101.61 0.67 Allowed Glycine 0 N--CA 1.485 1.94 0 CA-C-N 119.289 0.95 . . . . 0.0 111.731 179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -141.45 122.54 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -88.26 82.34 7.1 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 121.892 0.853 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.94 -97.34 0.21 Allowed Glycine 0 N--CA 1.481 1.691 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -83.4 115.62 22.12 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.77 84.21 7.64 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 122.009 0.909 . . . . 0.0 110.921 -179.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 0.1 OUTLIER -145.79 80.26 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.677 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t -157.21 130.61 7.93 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.524 -1.36 . . . . 0.0 109.812 -179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.4 p -110.59 106.52 15.82 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 124.139 1.923 . . . . 0.0 110.836 -179.894 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.4 mm -73.18 117.82 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 123.976 0.798 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -72.38 -18.08 61.76 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -178.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.46 101.67 0.62 Allowed Glycine 0 N--CA 1.485 1.931 0 CA-C-N 119.352 0.978 . . . . 0.0 111.824 179.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -141.61 123.53 15.35 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -88.94 82.08 6.77 Favored 'General case' 0 CA--C 1.558 1.266 0 CA-C-O 121.889 0.852 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.62 -97.49 0.21 Allowed Glycine 0 N--CA 1.481 1.692 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 -179.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -82.93 115.98 22.02 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.8 84.02 7.71 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.893 0.854 . . . . 0.0 110.856 -178.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.26 0.1 OUTLIER -146.37 80.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 t -158.4 123.47 4.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.704 -1.247 . . . . 0.0 109.14 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -97.55 101.59 13.15 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 124.174 1.94 . . . . 0.0 111.18 -179.682 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.73 117.57 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 124.042 0.839 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -71.87 -19.65 61.92 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 118.342 2.719 . . . . 0.0 118.342 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.34 97.53 0.37 Allowed Glycine 0 N--CA 1.484 1.884 0 CA-C-N 119.095 0.862 . . . . 0.0 111.654 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -142.75 119.48 11.15 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -92.51 83.42 4.94 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.789 0.836 . . . . 0.0 110.329 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.23 -90.19 0.16 Allowed Glycine 0 N--CA 1.481 1.689 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.397 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -89.52 106.29 18.36 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 mp -83.63 84.52 7.51 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.202 1.001 . . . . 0.0 110.613 -178.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.267 0.1 OUTLIER -147.99 79.16 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.277 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -155.54 149.61 25.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.529 -1.357 . . . . 0.0 111.109 -179.079 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 p -83.07 103.73 12.73 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 124.229 1.966 . . . . 0.0 110.68 -179.759 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.54 112.94 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 123.887 0.742 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -121.71 93.85 4.13 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.45 86.84 0.13 Allowed Glycine 0 N--CA 1.481 1.656 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -141.94 118.48 10.96 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.081 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -89.74 81.52 6.39 Favored 'General case' 0 CA--C 1.561 1.39 0 C-N-CA 123.847 0.859 . . . . 0.0 110.763 179.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.74 -84.91 0.19 Allowed Glycine 0 N--CA 1.483 1.8 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -178.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -83.58 92.6 7.68 Favored 'General case' 0 CA--C 1.561 1.401 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? -82.48 73.3 9.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -178.386 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.28 9.5 tp -163.59 70.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.533 0 C-N-CA 124.507 1.123 . . . . 0.0 108.285 178.323 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -132.77 104.75 6.77 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.754 1.615 . . . . 0.0 107.176 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -80.88 122.89 27.78 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.168 0.587 . . . . 0.0 111.405 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 124.203 1.954 . . . . 0.0 110.573 -179.933 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.44 111.54 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.64 0 O-C-N 123.894 0.746 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -129.85 97.18 4.42 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.9 86.89 0.11 Allowed Glycine 0 N--CA 1.481 1.66 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.393 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -141.5 119.97 12.38 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -89.94 81.5 6.27 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.751 0.821 . . . . 0.0 110.676 179.324 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.96 -84.42 0.2 Allowed Glycine 0 N--CA 1.481 1.673 0 N-CA-C 109.406 -1.477 . . . . 0.0 109.406 -178.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -83.44 92.05 7.49 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? -82.35 73.96 9.35 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.335 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.28 8.8 tp -163.23 70.19 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.579 0 C-N-CA 124.526 1.13 . . . . 0.0 108.338 178.376 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 m -118.92 100.18 7.21 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 121.098 1.772 . . . . 0.0 106.263 178.363 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -86.17 116.97 24.7 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.098 0.559 . . . . 0.0 110.57 -179.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 124.174 1.94 . . . . 0.0 108.908 -179.813 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.4 ' O ' HD12 ' A' ' 2' ' ' ILE . 2.7 pp -73.03 112.13 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 123.816 0.697 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -127.7 95.94 4.38 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.98 86.69 0.12 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -140.69 120.15 13.16 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -91.55 82.33 5.33 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 121.838 0.828 . . . . 0.0 110.497 179.054 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.1 -84.37 0.21 Allowed Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -178.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -83.06 92.6 7.42 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 9' ' ' LEU 0.251 2.4 pt? -82.55 72.08 9.62 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -178.322 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 9.3 tp -161.66 69.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 124.32 1.048 . . . . 0.0 108.633 178.292 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.1 m -126.44 102.39 7.11 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.805 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -83.66 113.28 20.75 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.085 0.554 . . . . 0.0 110.622 -179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 124.099 1.904 . . . . 0.0 108.839 -179.756 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.63 110.39 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 123.832 0.708 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -125.02 95.54 4.54 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -179.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.29 85.47 0.13 Allowed Glycine 0 N--CA 1.481 1.687 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -139.67 117.35 11.55 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -89.66 82.45 6.32 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.967 0.889 . . . . 0.0 110.903 179.52 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.56 -86.49 0.18 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 109.205 -1.558 . . . . 0.0 109.205 -179.055 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -84.81 92.84 8.35 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 9' ' ' LEU 0.251 2.4 pt? -82.94 75.12 9.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -178.215 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.291 9.3 tp -160.61 68.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 C-N-CA 124.316 1.046 . . . . 0.0 108.658 178.153 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -131.46 100.53 5.19 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 179.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -80.55 121.63 26.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.204 0.601 . . . . 0.0 111.211 -179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 124.165 1.936 . . . . 0.0 108.982 -179.874 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.261 2.8 pp -74.47 116.97 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 C-N-CA 123.43 0.692 . . . . 0.0 110.768 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.8 95.13 3.07 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.265 0.555 . . . . 0.0 109.719 -178.72 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.67 92.73 0.1 Allowed Glycine 0 N--CA 1.481 1.637 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.07 121.89 16.53 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -88.76 82.28 6.84 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 123.929 0.891 . . . . 0.0 110.854 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.56 -87.53 0.17 Allowed Glycine 0 N--CA 1.482 1.727 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -85.34 91.95 8.32 Favored 'General case' 0 CA--C 1.561 1.385 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.185 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 9' ' ' LEU 0.262 2.5 pt? -81.93 74.17 8.93 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -178.214 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 10.2 tp -164.74 70.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.566 1.582 0 C-N-CA 124.452 1.101 . . . . 0.0 108.554 178.175 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.0 m -134.73 105.85 6.65 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -82.0 125.03 30.32 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.12 0.568 . . . . 0.0 111.32 -179.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 124.21 1.957 . . . . 0.0 110.981 -179.911 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.256 2.6 pp -75.31 110.69 10.53 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 C-N-CA 123.586 0.754 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -108.17 92.44 4.06 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 179.091 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.23 86.92 0.11 Allowed Glycine 0 N--CA 1.482 1.725 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.903 -179.809 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -147.93 128.72 14.3 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -84.15 83.62 7.9 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-O 122.08 0.943 . . . . 0.0 111.792 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.54 -90.42 0.17 Allowed Glycine 0 N--CA 1.481 1.684 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -179.026 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -86.75 94.47 9.53 Favored 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.28 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 9' ' ' LEU 0.257 2.5 pt? -80.28 70.6 6.96 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.318 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.288 8.1 tp -162.41 70.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.527 0 C-N-CA 124.19 0.996 . . . . 0.0 109.02 178.557 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -151.75 125.75 9.17 Favored 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 104.219 -2.511 . . . . 0.0 104.219 178.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -67.24 128.03 34.85 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -179.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 124.076 1.893 . . . . 0.0 110.695 -179.804 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 pp -77.48 110.27 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 123.873 0.733 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -124.99 95.62 4.57 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.97 85.18 0.13 Allowed Glycine 0 N--CA 1.48 1.58 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.216 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -139.74 115.93 10.45 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -87.93 82.02 7.36 Favored 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 123.847 0.859 . . . . 0.0 111.361 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.94 -87.96 0.17 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 109.029 -1.628 . . . . 0.0 109.029 -179.141 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -86.0 93.98 9.1 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.718 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 9' ' ' LEU 0.252 2.5 pt? -83.49 78.03 9.73 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.213 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.294 9.3 tp -160.03 67.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.235 1.014 . . . . 0.0 108.825 178.062 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -131.14 100.29 5.16 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 179.105 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -80.69 118.35 22.16 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.058 0.543 . . . . 0.0 111.074 -179.732 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 123.064 1.411 . . . . 0.0 110.007 -179.771 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.17 111.62 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 123.886 0.741 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -130.04 97.46 4.47 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.65 85.17 0.12 Allowed Glycine 0 N--CA 1.48 1.618 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.343 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -140.47 117.34 11.05 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 -178.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -87.3 81.7 7.82 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-O 122.079 0.942 . . . . 0.0 111.58 179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.18 -87.62 0.17 Allowed Glycine 0 N--CA 1.481 1.665 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -179.159 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -86.31 93.35 9.06 Favored 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.574 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 9' ' ' LEU 0.251 2.5 pt? -83.15 79.95 9.21 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-O 122.298 1.047 . . . . 0.0 113.781 -178.267 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.287 8.8 tp -161.85 67.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.662 178.245 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m -120.13 98.9 6.29 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 178.265 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -84.75 121.17 27.3 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.07 0.548 . . . . 0.0 111.059 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 123.009 1.385 . . . . 0.0 111.849 -179.92 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.36 134.53 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 124.36 1.038 . . . . 0.0 109.938 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -136.38 67.68 1.45 Allowed 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.653 0.739 . . . . 0.0 109.813 -177.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 -70.63 1.83 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 114.413 0.525 . . . . 0.0 114.413 -179.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -66.99 130.22 42.42 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.496 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -107.55 89.79 3.1 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.352 1.061 . . . . 0.0 109.786 -179.734 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.05 -94.89 0.11 Allowed Glycine 0 N--CA 1.481 1.648 0 N-CA-C 108.993 -1.643 . . . . 0.0 108.993 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -83.31 104.35 13.41 Favored 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -81.83 77.05 8.71 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -176.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.27 0.1 OUTLIER -154.4 72.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 176.946 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 m -79.45 107.6 12.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.557 -1.339 . . . . 0.0 110.277 -178.633 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -148.31 125.28 11.32 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 124.344 2.021 . . . . 0.0 110.622 179.991 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 tt -121.28 134.17 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 124.381 1.05 . . . . 0.0 109.743 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -136.16 71.47 1.42 Allowed 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.814 0.816 . . . . 0.0 109.786 -177.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.7 -72.94 1.64 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 114.699 0.64 . . . . 0.0 114.699 179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -70.97 130.5 41.75 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -179.016 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -105.95 93.64 4.74 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.006 0.923 . . . . 0.0 109.947 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.71 -92.44 0.09 OUTLIER Glycine 0 N--CA 1.479 1.556 0 N-CA-C 108.392 -1.883 . . . . 0.0 108.392 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.93 113.69 21.15 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.058 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -83.27 72.3 10.19 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.461 1.124 . . . . 0.0 113.114 -178.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 81.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 178.713 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -74.43 97.1 3.0 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 120.832 1.651 . . . . 0.0 110.668 -179.699 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.5 t -157.25 130.69 7.93 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.623 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 124.394 2.045 . . . . 0.0 110.815 -179.979 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.46 132.04 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 124.252 0.97 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -136.56 69.24 1.42 Allowed 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.995 0.903 . . . . 0.0 110.217 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.86 -75.57 0.7 Allowed Glycine 0 N--CA 1.487 2.087 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 179.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.55 124.67 24.8 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -178.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -97.74 94.68 7.08 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.183 0.993 . . . . 0.0 110.0 -179.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.5 -79.28 0.14 Allowed Glycine 0 N--CA 1.48 1.606 0 N-CA-C 108.201 -1.96 . . . . 0.0 108.201 -179.289 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -79.55 110.39 14.83 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 177.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.37 61.28 6.54 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.26 0.0 OUTLIER -161.34 80.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 178.241 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -85.66 104.32 15.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.43 -1.418 . . . . 0.0 109.374 -178.901 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -148.45 128.86 13.91 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -179.674 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 124.419 2.057 . . . . 0.0 110.633 -179.997 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt -128.77 134.17 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 124.317 1.011 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -137.44 68.31 1.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.684 0.754 . . . . 0.0 109.508 -177.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.49 -71.94 1.78 Allowed Glycine 0 N--CA 1.489 2.187 0 O-C-N 121.975 -0.453 . . . . 0.0 113.695 -179.329 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.76 133.52 49.4 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -113.87 94.71 4.96 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.256 1.022 . . . . 0.0 109.037 179.745 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.85 -87.4 0.1 Allowed Glycine 0 N--CA 1.482 1.706 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -179.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -85.13 95.24 9.07 Favored 'General case' 0 CA--C 1.56 1.363 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 177.603 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.2 mt -80.66 76.25 7.54 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -176.134 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.272 0.1 OUTLIER -158.12 74.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.532 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 177.049 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 m -79.57 110.12 14.59 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.348 -1.47 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -87.35 124.76 33.72 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.252 0.621 . . . . 0.0 110.682 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 124.379 2.038 . . . . 0.0 110.695 -179.952 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.6 mm -74.44 109.39 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 123.984 0.802 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -132.89 98.39 4.29 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 179.685 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.12 86.89 0.11 Allowed Glycine 0 N--CA 1.481 1.686 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.399 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.49 145.35 36.78 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.54 0.686 . . . . 0.0 110.956 -178.621 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -117.3 99.12 6.8 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.097 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.44 -85.0 0.36 Allowed Glycine 0 N--CA 1.483 1.812 0 N-CA-C 109.209 -1.556 . . . . 0.0 109.209 -178.619 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.56 96.72 10.74 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 178.469 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.61 78.46 8.51 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.938 0.875 . . . . 0.0 112.149 -178.51 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.293 8.8 tp -163.07 68.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.54 0 C-N-CA 124.465 1.106 . . . . 0.0 108.376 178.007 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.3 m -129.79 117.6 20.5 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 179.13 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.2 p -81.06 103.51 10.93 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 123.175 0.59 . . . . 0.0 110.132 -179.81 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 124.341 2.02 . . . . 0.0 110.495 -179.664 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 mm -78.88 109.55 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -124.2 94.41 4.21 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.684 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.67 86.48 0.16 Allowed Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.493 -1.843 . . . . 0.0 108.493 179.008 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -130.63 112.09 12.82 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.46 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -88.2 84.19 6.91 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-O 121.968 0.89 . . . . 0.0 111.137 -179.485 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.76 -95.0 0.16 Allowed Glycine 0 N--CA 1.481 1.689 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.516 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -91.08 112.93 25.04 Favored 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 178.516 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.38 87.03 7.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-O 122.111 0.958 . . . . 0.0 110.569 -178.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.272 10.9 tp -151.54 75.33 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.381 178.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -156.61 112.98 3.03 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.049 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -90.66 101.07 13.82 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 124.026 1.87 . . . . 0.0 108.627 -179.592 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.6 mm -78.96 102.96 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.7 0 O-C-N 123.865 0.728 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -111.01 91.8 3.8 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 178.565 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.81 96.83 0.23 Allowed Glycine 0 N--CA 1.484 1.846 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.893 -179.297 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.16 119.9 13.37 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 179.795 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -86.82 85.8 7.29 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-O 121.899 0.857 . . . . 0.0 111.338 -179.548 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 -94.24 0.18 Allowed Glycine 0 N--CA 1.481 1.644 0 N-CA-C 109.014 -1.634 . . . . 0.0 109.014 -179.588 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -89.75 113.18 24.67 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 178.781 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -85.0 87.24 7.35 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.025 0.917 . . . . 0.0 110.008 -179.094 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.286 10.9 tp -147.7 72.49 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.702 178.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -63.71 105.4 0.8 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 119.139 0.882 . . . . 0.0 111.906 -178.898 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.2 p -139.21 132.45 29.87 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.953 -1.022 . . . . 0.0 108.491 -178.535 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 122.919 1.342 . . . . 0.0 112.758 179.813 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.7 mm -80.95 116.43 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.61 105.35 3.57 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-O 121.147 0.499 . . . . 0.0 110.674 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.42 86.56 0.13 Allowed Glycine 0 N--CA 1.481 1.681 0 N-CA-C 107.466 -2.254 . . . . 0.0 107.466 178.548 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -126.96 124.49 39.57 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.007 0.523 . . . . 0.0 110.315 -177.881 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -136.82 104.99 5.67 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.082 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.36 -80.85 0.38 Allowed Glycine 0 N--CA 1.483 1.781 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 -177.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -84.46 113.37 21.15 Favored 'General case' 0 CA--C 1.56 1.343 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.06 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tt -99.79 91.62 4.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-O 121.54 0.686 . . . . 0.0 109.381 -179.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.316 9.5 tp -145.05 55.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.03 178.348 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 m -90.43 95.17 10.05 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 121.384 1.902 . . . . 0.0 107.658 179.246 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.1 p -104.27 103.63 13.41 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.242 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 122.839 1.304 . . . . 0.0 112.456 -179.858 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -79.57 107.32 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -105.7 88.22 2.78 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.874 0.845 . . . . 0.0 108.856 179.288 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.71 83.47 0.17 Allowed Glycine 0 N--CA 1.48 1.577 0 N-CA-C 108.281 -1.928 . . . . 0.0 108.281 179.044 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -132.52 116.81 17.2 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -178.312 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -91.02 91.95 8.53 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.707 0.803 . . . . 0.0 110.123 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.64 -88.39 0.22 Allowed Glycine 0 N--CA 1.481 1.687 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 -179.226 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.59 94.72 9.53 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 178.37 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 tp -86.62 77.72 9.31 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 122.452 1.12 . . . . 0.0 112.57 -178.319 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.257 7.9 tp -161.25 73.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.479 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.668 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -91.99 98.26 11.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.899 1.681 . . . . 0.0 107.921 178.446 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -96.94 111.28 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.343 0.657 . . . . 0.0 109.301 -179.446 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 122.909 1.337 . . . . 0.0 112.463 -179.816 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.247 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.3 mm -81.72 114.79 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -150.01 108.36 3.78 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -179.815 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.34 91.29 0.12 Allowed Glycine 0 N--CA 1.481 1.643 0 N-CA-C 108.125 -1.99 . . . . 0.0 108.125 179.12 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -136.19 146.74 47.17 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 122.042 0.925 . . . . 0.0 112.13 -178.059 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -140.46 102.89 4.44 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 178.301 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 -82.31 0.31 Allowed Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.916 -1.674 . . . . 0.0 108.916 -178.027 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.47 93.03 8.22 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.808 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.58 77.7 8.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.241 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.279 10.8 tp -159.09 75.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 C-N-CA 123.529 0.732 . . . . 0.0 109.912 178.757 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -164.16 134.46 4.17 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.98 -1.075 . . . . 0.0 108.751 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.5 p -86.53 98.77 11.24 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 122.886 1.327 . . . . 0.0 109.801 -179.686 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.199 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.0 mm -79.0 109.81 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -127.01 97.12 4.84 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.702 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.91 90.03 0.13 Allowed Glycine 0 N--CA 1.479 1.554 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.389 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -133.52 122.05 23.04 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.023 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -92.47 88.2 6.27 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 121.69 0.757 . . . . 0.0 110.011 179.884 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.29 -97.27 0.23 Allowed Glycine 0 N--CA 1.48 1.628 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 -179.449 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -86.2 115.55 23.83 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.083 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.4 mt -84.89 86.51 7.36 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 122.011 0.91 . . . . 0.0 110.818 -179.142 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.268 10.6 tp -151.42 77.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.153 179.013 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -155.86 130.64 9.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.876 -1.14 . . . . 0.0 109.193 179.52 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -89.18 102.09 14.74 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 124.274 1.988 . . . . 0.0 110.618 -179.693 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.8 mm -80.8 106.31 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -89.48 87.49 7.09 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.2 1.0 . . . . 0.0 110.706 -179.812 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.36 87.2 0.18 Allowed Glycine 0 N--CA 1.482 1.739 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 178.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -140.26 153.2 46.44 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.16 0.981 . . . . 0.0 111.773 -178.723 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -130.82 99.17 4.84 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 178.43 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.47 -83.5 0.35 Allowed Glycine 0 N--CA 1.485 1.927 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -82.94 95.32 7.95 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -88.0 77.04 8.5 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.636 0.731 . . . . 0.0 112.814 -177.527 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.262 10.8 tp -162.07 77.18 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.75 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' DAB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -161.34 129.29 4.26 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.989 -1.069 . . . . 0.0 108.778 179.03 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.7 p -88.13 103.68 15.97 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 124.344 2.021 . . . . 0.0 110.682 -179.761 . . . . . . . . 0 0 . 1 stop_ save_