data_2m9s_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 2m9s _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.376 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -126.36 113.33 16.76 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.49 120.05 31.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.588 -0.695 . . . . 0.0 109.957 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -88.04 119.49 28.45 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.191 0.519 . . . . 0.0 110.174 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -101.23 122.93 44.55 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.313 0.645 . . . . 0.0 109.856 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -130.13 -60.48 1.01 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.091 0.556 . . . . 0.0 111.365 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -134.7 125.41 26.99 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 119.435 1.016 . . . . 0.0 110.42 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.15 81.73 0.03 OUTLIER Glycine 0 N--CA 1.485 1.957 0 O-C-N 121.875 -0.516 . . . . 0.0 112.176 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.489 1.497 0 C-N-CA 122.897 0.479 . . . . 0.0 110.841 177.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.316 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.56 113.97 26.39 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.468 0.652 . . . . 0.0 109.669 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -90.03 122.13 32.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.667 -0.646 . . . . 0.0 110.063 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -87.61 122.15 30.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.761 -0.587 . . . . 0.0 110.267 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -77.65 -50.0 13.39 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -83.17 122.34 28.26 Favored 'General case' 0 CA--C 1.567 1.63 0 CA-C-O 122.045 0.926 . . . . 0.0 111.892 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -92.35 124.28 36.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 111.114 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.01 81.85 1.66 Allowed Glycine 0 N--CA 1.488 2.127 0 O-C-N 121.636 -0.665 . . . . 0.0 114.198 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.287 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -114.12 78.26 1.13 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 120.3 1.409 . . . . 0.0 112.233 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -143.29 117.31 9.44 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.25 119.77 30.84 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 121.773 -0.579 . . . . 0.0 109.752 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -126.25 112.59 15.92 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -127.22 -61.13 1.17 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.197 0.599 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -72.02 -35.37 69.39 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.65 -89.67 1.61 Allowed Glycine 0 N--CA 1.485 1.93 0 CA-C-N 119.35 0.977 . . . . 0.0 113.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.147 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -143.06 100.6 3.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -145.74 120.15 9.65 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.07 125.91 29.01 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -89.34 122.95 33.07 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 121.925 -0.484 . . . . 0.0 110.807 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -129.3 124.69 35.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 t -82.81 135.1 35.07 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.453 -0.779 . . . . 0.0 112.636 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.17 -84.42 0.05 OUTLIER Glycine 0 N--CA 1.485 1.964 0 O-C-N 122.007 -0.433 . . . . 0.0 112.32 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.065 0.459 . . . . 0.0 110.259 176.654 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.407 0 CA-C-O 121.798 0.809 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -99.81 108.95 21.37 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -149.29 122.29 8.81 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 36.7 ptt180 -122.43 -68.62 0.88 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -146.94 113.29 5.91 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.45 112.14 13.49 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.7 p -135.59 121.62 20.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.326 0.651 . . . . 0.0 110.16 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.85 175.63 41.67 Favored Glycine 0 CA--C 1.541 1.659 0 CA-C-O 122.82 1.234 . . . . 0.0 114.725 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 177.642 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.36 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -130.51 112.5 13.26 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -133.92 119.48 19.15 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -91.51 112.23 24.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.807 -0.558 . . . . 0.0 109.596 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -90.28 119.92 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.878 0.471 . . . . 0.0 110.197 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -122.6 -63.44 1.28 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.227 0.611 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m -84.76 130.25 34.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.937 . . . . 0.0 112.157 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.74 -107.26 1.37 Allowed Glycine 0 N--CA 1.488 2.125 0 O-C-N 121.863 -0.523 . . . . 0.0 113.641 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 CA--C 1.565 1.552 0 CA-C-O 121.971 0.891 . . . . 0.0 111.137 176.593 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.284 0 CA-C-O 121.456 0.646 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.48 81.69 5.94 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 122.486 1.136 . . . . 0.0 110.812 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -145.43 118.91 9.05 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.16 121.27 29.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.752 -0.593 . . . . 0.0 110.145 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -92.8 125.95 37.65 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.212 0.605 . . . . 0.0 110.362 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.93 120.58 28.35 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.494 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -123.5 130.72 53.11 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.356 0.662 . . . . 0.0 111.284 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.79 -78.11 1.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 p90 . . . . . 0 CA--C 1.567 1.609 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 174.464 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.566 1.572 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -91.97 113.68 26.02 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 118.928 0.786 . . . . 0.0 110.025 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -91.32 121.8 33.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.638 -0.664 . . . . 0.0 110.022 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.17 136.91 35.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.592 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -95.91 109.98 22.25 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.8 -48.58 13.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.8 t -78.81 131.6 36.56 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 119.476 1.034 . . . . 0.0 113.299 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.44 -86.11 0.07 OUTLIER Glycine 0 N--CA 1.485 1.951 0 O-C-N 121.303 -0.873 . . . . 0.0 112.117 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 p90 . . . . . 0 CA--C 1.568 1.647 0 CA-C-O 121.472 0.653 . . . . 0.0 111.166 174.763 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.622 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.16 144.15 30.94 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.631 1.205 . . . . 0.0 113.115 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.2 131.2 34.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 0.0 111.602 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.275 0.9 OUTLIER -79.09 -58.98 2.96 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -148.79 107.73 3.87 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -134.01 113.02 11.69 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.2 p -134.17 121.24 21.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.19 0.596 . . . . 0.0 110.718 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.78 -129.75 9.5 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.283 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 CA--C 1.564 1.488 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.58 130.96 34.44 Favored 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -126.36 113.33 16.76 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.49 120.05 31.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.588 -0.695 . . . . 0.0 109.957 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -88.04 119.49 28.45 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.191 0.519 . . . . 0.0 110.174 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -101.23 122.93 44.55 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.313 0.645 . . . . 0.0 109.856 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -130.13 -60.48 1.01 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.091 0.556 . . . . 0.0 111.365 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -134.7 125.41 26.99 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 119.435 1.016 . . . . 0.0 110.42 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.15 81.73 0.03 OUTLIER Glycine 0 N--CA 1.485 1.957 0 O-C-N 121.875 -0.516 . . . . 0.0 112.176 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -88.49 127.11 35.52 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.897 0.479 . . . . 0.0 110.841 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -89.83 -1.58 58.02 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -154.89 120.41 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -122.68 -77.6 0.59 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.222 -0.924 . . . . 0.0 110.332 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -136.96 83.22 1.98 Allowed 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 119.44 1.018 . . . . 0.0 108.777 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.82 120.49 6.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -80.71 76.77 7.6 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 122.178 0.99 . . . . 0.0 111.945 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -169.11 139.17 2.22 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.608 1.563 . . . . 0.0 107.781 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -75.05 98.14 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.958 -1.089 . . . . 0.0 110.2 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.46 136.64 58.0 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -89.3 117.52 28.31 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.054 0.454 . . . . 0.0 109.81 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 156.41 38.86 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.281 13.4 pt-20 -75.69 63.24 1.57 Allowed 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -159.5 95.38 1.22 Allowed 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.01 103.86 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.45 82.76 0.12 Allowed Glycine 0 N--CA 1.484 1.898 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -99.08 143.86 28.88 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.043 0.537 . . . . 0.0 111.594 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -73.75 112.95 10.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.666 -0.646 . . . . 0.0 111.27 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -135.58 141.41 45.15 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.78 0.832 . . . . 0.0 109.251 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.82 -87.69 0.07 OUTLIER Glycine 0 N--CA 1.485 1.937 0 O-C-N 121.654 -0.654 . . . . 0.0 111.867 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.9 130.07 34.71 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -131.58 99.47 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 104.199 -2.519 . . . . 0.0 104.199 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 tp -82.19 140.43 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.26 -0.9 . . . . 0.0 111.82 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.66 79.93 0.06 OUTLIER Glycine 0 N--CA 1.483 1.829 0 O-C-N 121.821 -0.549 . . . . 0.0 111.862 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -84.87 127.67 34.26 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.337 0.589 . . . . 0.0 112.422 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.3 ttp -91.22 111.49 22.99 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.049 0.539 . . . . 0.0 109.67 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -103.2 103.57 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.8 -82.99 0.05 OUTLIER Glycine 0 N--CA 1.484 1.884 0 O-C-N 121.913 -0.492 . . . . 0.0 112.923 -175.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.64 -77.4 1.03 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.6 105.28 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.747 177.151 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 CA--C 1.564 1.519 0 CA-C-O 120.776 0.322 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.97 130.83 34.29 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.685 -0.634 . . . . 0.0 112.578 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.56 113.97 26.39 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.468 0.652 . . . . 0.0 109.669 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -90.03 122.13 32.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.667 -0.646 . . . . 0.0 110.063 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -87.61 122.15 30.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.761 -0.587 . . . . 0.0 110.267 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -77.65 -50.0 13.39 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -83.17 122.34 28.26 Favored 'General case' 0 CA--C 1.567 1.63 0 CA-C-O 122.045 0.926 . . . . 0.0 111.892 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -92.35 124.28 36.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 111.114 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.01 81.85 1.66 Allowed Glycine 0 N--CA 1.488 2.127 0 O-C-N 121.636 -0.665 . . . . 0.0 114.198 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -138.78 114.02 9.51 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.65 85.35 2.3 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.424 1.106 . . . . 0.0 109.885 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 m -144.17 116.02 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -80.71 -55.33 4.91 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -137.45 116.81 12.74 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -132.11 106.74 8.18 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.273 23.5 pttm -96.85 64.96 2.09 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.545 1.164 . . . . 0.0 112.135 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -162.7 125.38 2.77 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.3 m -69.33 106.19 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.076 . . . . 0.0 111.448 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -80.9 107.3 13.6 Favored 'General case' 0 CA--C 1.559 1.326 0 O-C-N 121.286 -0.884 . . . . 0.0 109.672 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -92.75 113.97 26.4 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 129.28 38.45 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 122.062 -0.399 . . . . 0.0 111.877 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.276 12.6 pt-20 -74.72 71.38 1.94 Allowed 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 123.573 1.654 . . . . 0.0 115.077 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -163.98 95.82 0.79 Allowed 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.14 142.46 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.689 -1.257 . . . . 0.0 111.786 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.39 87.45 1.89 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 121.676 -0.64 . . . . 0.0 113.26 -174.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -125.63 38.02 4.25 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -148.83 85.0 1.47 Allowed 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.63 139.78 26.88 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.43 -89.0 0.07 OUTLIER Glycine 0 N--CA 1.485 1.904 0 O-C-N 121.715 -0.615 . . . . 0.0 111.711 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.27 130.65 34.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tp -137.8 92.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.73 144.8 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.964 -1.085 . . . . 0.0 112.053 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.04 -77.33 0.05 OUTLIER Glycine 0 N--CA 1.488 2.128 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.926 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -85.93 138.44 32.01 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 122.988 0.515 . . . . 0.0 110.917 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.8 ptm -85.86 96.44 9.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.275 -0.89 . . . . 0.0 111.563 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.1 t -106.0 103.05 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.01 86.79 0.08 OUTLIER Glycine 0 N--CA 1.484 1.859 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.51 86.69 0.07 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.318 9.4 p -132.35 -68.43 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-O 118.673 -0.679 . . . . 0.0 110.847 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 173.047 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.572 1.82 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.99 -46.13 45.65 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -114.12 78.26 1.13 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 120.3 1.409 . . . . 0.0 112.233 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -143.29 117.31 9.44 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.25 119.77 30.84 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 121.773 -0.579 . . . . 0.0 109.752 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -126.25 112.59 15.92 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -127.22 -61.13 1.17 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.197 0.599 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -72.02 -35.37 69.39 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.65 -89.67 1.61 Allowed Glycine 0 N--CA 1.485 1.93 0 CA-C-N 119.35 0.977 . . . . 0.0 113.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -134.18 117.72 16.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -90.51 84.23 5.94 Favored 'General case' 0 CA--C 1.568 1.642 0 CA-C-O 121.805 0.812 . . . . 0.0 109.939 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 124.93 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -77.07 -51.5 10.95 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -136.88 125.02 22.98 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.97 0.804 . . . . 0.0 109.008 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.71 91.25 8.57 Favored 'General case' 0 CA--C 1.564 1.506 0 O-C-N 121.627 -0.67 . . . . 0.0 109.933 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -90.19 75.87 6.94 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 122.287 1.041 . . . . 0.0 110.186 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -174.26 136.55 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 126.042 1.737 . . . . 0.0 106.463 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.23 99.72 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -64.42 135.0 55.67 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.74 122.92 13.75 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.43 46.48 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 121.493 -0.755 . . . . 0.0 112.552 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.33 78.67 2.41 Favored 'General case' 0 CA--C 1.575 1.926 0 CA-C-O 123.048 1.404 . . . . 0.0 113.09 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -152.05 77.48 1.21 Allowed 'General case' 0 CA--C 1.566 1.574 0 CA-C-O 122.663 1.221 . . . . 0.0 108.347 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -150.47 83.29 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.676 -1.265 . . . . 0.0 107.85 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.3 45.89 64.35 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 119.947 2.739 . . . . 0.0 119.947 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -81.88 143.44 31.7 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 117.905 0.853 . . . . 0.0 112.596 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.73 87.73 2.21 Favored 'General case' 0 CA--C 1.571 1.75 0 CA-C-O 122.159 0.981 . . . . 0.0 111.479 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -96.16 142.76 27.96 Favored 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 123.898 0.879 . . . . 0.0 110.419 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.27 -84.4 0.05 OUTLIER Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.813 -0.555 . . . . 0.0 111.836 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.3 130.38 35.08 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -140.08 124.63 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -78.69 143.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.944 -1.098 . . . . 0.0 112.294 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.61 89.92 0.14 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 tp -88.44 116.86 26.97 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.97 0.508 . . . . 0.0 109.951 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.7 tpt -89.73 116.44 27.84 Favored 'General case' 0 CA--C 1.562 1.414 0 O-C-N 121.919 -0.488 . . . . 0.0 109.955 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -99.36 103.11 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -87.33 0.07 OUTLIER Glycine 0 N--CA 1.484 1.882 0 CA-C-O 119.793 -0.448 . . . . 0.0 112.377 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -85.97 1.27 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 114.404 0.522 . . . . 0.0 114.404 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 m -86.82 118.44 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 CA-C-N 117.551 0.675 . . . . 0.0 110.234 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.496 1.85 0 C-N-CA 123.095 0.558 . . . . 0.0 110.329 174.173 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 CA--C 1.567 1.605 0 CA-C-O 120.794 0.33 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 -58.1 3.09 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -143.06 100.6 3.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -145.74 120.15 9.65 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.07 125.91 29.01 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -89.34 122.95 33.07 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 121.925 -0.484 . . . . 0.0 110.807 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -129.3 124.69 35.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 t -82.81 135.1 35.07 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.453 -0.779 . . . . 0.0 112.636 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.17 -84.42 0.05 OUTLIER Glycine 0 N--CA 1.485 1.964 0 O-C-N 122.007 -0.433 . . . . 0.0 112.32 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -91.12 117.08 29.32 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.065 0.459 . . . . 0.0 110.259 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.87 83.03 4.31 Favored 'General case' 0 CA--C 1.566 1.585 0 CA-C-O 121.977 0.894 . . . . 0.0 109.795 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -143.59 111.6 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.49 -58.69 3.08 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -100.48 107.8 19.6 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -84.27 132.79 34.6 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 123.254 0.621 . . . . 0.0 112.277 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -90.7 74.36 6.65 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 122.337 1.065 . . . . 0.0 109.786 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.07 126.49 2.43 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p -71.17 86.63 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 CA-C-O 122.343 1.068 . . . . 0.0 112.165 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -87.03 120.53 28.4 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.66 0.784 . . . . 0.0 109.486 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -94.07 114.77 27.0 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.04 64.99 7.92 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 122.34 1.067 . . . . 0.0 113.411 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -157.86 148.29 20.67 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 125.09 1.356 . . . . 0.0 109.324 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.05 99.13 2.68 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 121.038 -1.039 . . . . 0.0 111.023 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -100.73 103.8 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.22 83.11 0.09 OUTLIER Glycine 0 N--CA 1.478 1.497 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -141.58 57.36 1.51 Allowed 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.696 1.236 . . . . 0.0 112.11 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -157.25 100.67 1.85 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 103.807 -2.664 . . . . 0.0 103.807 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -134.3 137.49 44.26 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.22 -86.78 0.06 OUTLIER Glycine 0 N--CA 1.487 2.082 0 O-C-N 121.608 -0.682 . . . . 0.0 112.015 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.87 126.44 34.06 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tp -95.56 92.91 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 tp -83.04 132.16 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.103 -0.998 . . . . 0.0 111.199 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.41 79.23 0.05 OUTLIER Glycine 0 N--CA 1.484 1.836 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -133.93 117.25 16.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 59.4 mtm -89.76 122.63 33.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.615 . . . . 0.0 110.21 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.08 96.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.86 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.484 1.893 0 O-C-N 121.531 -0.73 . . . . 0.0 111.945 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.34 86.78 0.06 OUTLIER Glycine 0 N--CA 1.485 1.931 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.32 9.3 p -133.5 -68.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.005 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.065 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.49 88.48 7.69 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 121.798 0.809 . . . . 0.0 111.418 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -99.81 108.95 21.37 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -149.29 122.29 8.81 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 36.7 ptt180 -122.43 -68.62 0.88 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -146.94 113.29 5.91 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.45 112.14 13.49 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.7 p -135.59 121.62 20.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.326 0.651 . . . . 0.0 110.16 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.85 175.63 41.67 Favored Glycine 0 CA--C 1.541 1.659 0 CA-C-O 122.82 1.234 . . . . 0.0 114.725 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -134.88 112.85 11.0 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.27 87.75 6.19 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.189 0.995 . . . . 0.0 109.483 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.38 104.36 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -87.97 -66.15 0.94 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.772 -0.58 . . . . 0.0 112.402 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -132.76 94.59 3.42 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -143.96 90.34 2.12 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -95.56 74.81 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.916 0.865 . . . . 0.0 109.599 173.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -163.63 137.63 5.79 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.79 98.57 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.939 -1.101 . . . . 0.0 109.785 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -72.22 135.34 46.04 Favored 'General case' 0 CA--C 1.565 1.519 0 O-C-N 121.511 -0.743 . . . . 0.0 112.484 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -89.6 116.14 27.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.31 155.01 37.06 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.278 13.0 pt-20 -75.59 67.9 2.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 123.563 1.649 . . . . 0.0 115.106 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -164.61 101.77 0.81 Allowed 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 p -137.59 139.44 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.491 -1.381 . . . . 0.0 110.113 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 78.21 1.38 Allowed Glycine 0 N--CA 1.488 2.139 0 O-C-N 121.885 -0.509 . . . . 0.0 113.613 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -132.52 138.29 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.446 0.698 . . . . 0.0 109.838 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -74.33 83.97 1.92 Allowed 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 122.326 1.06 . . . . 0.0 112.913 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -91.61 140.95 29.23 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.686 0.795 . . . . 0.0 110.668 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.27 -89.8 0.08 OUTLIER Glycine 0 N--CA 1.483 1.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.21 127.11 35.73 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 tp -91.2 90.42 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.401 0.619 . . . . 0.0 109.373 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -81.62 143.93 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.263 -0.898 . . . . 0.0 111.618 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.17 87.79 0.09 OUTLIER Glycine 0 N--CA 1.482 1.753 0 O-C-N 121.489 -0.757 . . . . 0.0 111.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.14 115.45 28.02 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.1 mtm -89.92 122.24 32.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.792 -0.567 . . . . 0.0 110.063 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.38 91.09 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.75 0.786 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.75 -84.79 1.47 Allowed Glycine 0 N--CA 1.488 2.166 0 O-C-N 121.738 -0.601 . . . . 0.0 113.109 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.93 85.09 0.08 OUTLIER Glycine 0 N--CA 1.482 1.708 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -90.63 111.47 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.101 174.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.7 132.01 34.89 Favored 'General case' 0 CA--C 1.56 1.36 0 CA-C-N 119.89 1.223 . . . . 0.0 113.046 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -130.51 112.5 13.26 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -133.92 119.48 19.15 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -91.51 112.23 24.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.807 -0.558 . . . . 0.0 109.596 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -90.28 119.92 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.878 0.471 . . . . 0.0 110.197 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -122.6 -63.44 1.28 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.227 0.611 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m -84.76 130.25 34.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.937 . . . . 0.0 112.157 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.74 -107.26 1.37 Allowed Glycine 0 N--CA 1.488 2.125 0 O-C-N 121.863 -0.523 . . . . 0.0 113.641 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' HH ' ' CE6' ' A' ' 101' ' ' 23Y . 46.3 p90 -90.58 93.53 9.32 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 121.971 0.891 . . . . 0.0 111.137 176.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -98.81 89.69 4.42 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.33 149.7 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-O 122.023 0.916 . . . . 0.0 109.82 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.5 160.52 27.43 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.027 -1.046 . . . . 0.0 113.736 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -52.79 101.9 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -130.89 100.37 5.23 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -87.08 69.96 10.2 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-O 122.397 1.094 . . . . 0.0 110.323 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 tp -165.45 136.85 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.19 86.35 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.984 -1.072 . . . . 0.0 110.684 171.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -82.85 130.24 35.11 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.537 -0.727 . . . . 0.0 111.255 -175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -134.66 112.57 10.91 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.51 65.91 8.65 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-O 122.198 0.999 . . . . 0.0 113.343 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.41 147.79 20.97 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.908 1.283 . . . . 0.0 109.393 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.05 95.03 1.16 Allowed 'General case' 0 CA--C 1.57 1.747 0 CA-C-O 122.745 1.26 . . . . 0.0 112.974 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.1 t -98.87 105.16 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -144.5 85.84 0.18 Allowed Glycine 0 N--CA 1.484 1.849 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -86.89 144.2 27.09 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -75.39 90.1 2.66 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 121.923 0.868 . . . . 0.0 110.791 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -88.34 142.95 27.32 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 123.662 0.785 . . . . 0.0 110.964 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.79 -82.45 0.04 OUTLIER Glycine 0 N--CA 1.486 1.984 0 O-C-N 121.856 -0.527 . . . . 0.0 112.115 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.09 133.46 35.48 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 tt -82.3 143.39 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.94 0 O-C-N 121.6 -0.688 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -77.18 144.04 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.25 -0.906 . . . . 0.0 112.694 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.64 -79.41 1.11 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 115.231 0.852 . . . . 0.0 115.231 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.6 123.38 31.72 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 117.286 0.543 . . . . 0.0 110.487 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 ttt -93.04 116.96 29.54 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 123.169 0.588 . . . . 0.0 109.953 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.36 110.92 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.619 -0.676 . . . . 0.0 110.11 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.24 -88.55 0.07 OUTLIER Glycine 0 N--CA 1.485 1.922 0 O-C-N 121.734 -0.604 . . . . 0.0 112.228 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.45 179.24 46.78 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.267 19.0 m -80.57 -61.42 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.411 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . 0.542 ' CE6' ' HH ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 CA--C 1.568 1.649 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.31 96.6 10.78 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 119.667 1.122 . . . . 0.0 111.3 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.48 81.69 5.94 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 122.486 1.136 . . . . 0.0 110.812 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -145.43 118.91 9.05 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.16 121.27 29.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.752 -0.593 . . . . 0.0 110.145 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -92.8 125.95 37.65 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.212 0.605 . . . . 0.0 110.362 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.93 120.58 28.35 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.494 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -123.5 130.72 53.11 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.356 0.662 . . . . 0.0 111.284 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.79 -78.11 1.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -77.19 124.87 28.44 Favored 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.41 77.87 3.89 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.989 0.9 . . . . 0.0 110.318 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 m -147.11 108.07 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -82.77 -57.0 3.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 113.226 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -139.97 129.55 24.32 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 119.362 0.983 . . . . 0.0 109.711 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -84.24 130.95 34.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.439 -0.788 . . . . 0.0 111.173 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -84.89 69.24 10.73 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 122.512 1.148 . . . . 0.0 111.279 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp 177.69 147.23 0.13 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 126.829 2.051 . . . . 0.0 107.008 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -69.01 94.17 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.131 -1.606 . . . . 0.0 111.722 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -93.16 94.78 9.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.8 101.28 5.21 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 67.46 5.41 Favored 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 122.14 0.971 . . . . 0.0 112.789 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -156.79 131.4 8.77 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.746 1.218 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.67 106.08 18.26 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.14 140.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 122.44 1.114 . . . . 0.0 110.106 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.43 81.67 0.08 OUTLIER Glycine 0 N--CA 1.48 1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 112.296 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -145.36 75.11 1.42 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 122.468 1.128 . . . . 0.0 109.737 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -163.54 -46.78 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.756 1.223 . . . . 0.0 110.487 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -68.84 140.57 55.23 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.08 -90.29 0.11 Allowed Glycine 0 N--CA 1.486 1.992 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.17 133.16 34.21 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -126.92 108.36 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -80.72 137.13 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.13 -0.982 . . . . 0.0 111.761 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.06 84.13 0.31 Allowed Glycine 0 N--CA 1.486 2.024 0 O-C-N 121.968 -0.457 . . . . 0.0 112.121 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 tp -89.55 113.24 24.63 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.938 0.495 . . . . 0.0 109.689 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -133.95 116.04 15.1 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.7 t -101.25 101.38 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.67 -86.32 1.31 Allowed Glycine 0 N--CA 1.487 2.084 0 O-C-N 122.161 -0.337 . . . . 0.0 113.289 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.55 84.5 0.06 OUTLIER Glycine 0 N--CA 1.483 1.798 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.8 t -136.48 102.1 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 118.148 -0.929 . . . . 0.0 109.693 -179.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 -48.61 17.86 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -91.97 113.68 26.02 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 118.928 0.786 . . . . 0.0 110.025 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -91.32 121.8 33.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.638 -0.664 . . . . 0.0 110.022 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.17 136.91 35.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.592 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -95.91 109.98 22.25 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.8 -48.58 13.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.8 t -78.81 131.6 36.56 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 119.476 1.034 . . . . 0.0 113.299 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.44 -86.11 0.07 OUTLIER Glycine 0 N--CA 1.485 1.951 0 O-C-N 121.303 -0.873 . . . . 0.0 112.117 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -87.09 95.01 9.8 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-O 121.472 0.653 . . . . 0.0 111.166 174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -123.49 95.55 4.63 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.05 121.83 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -80.2 -59.36 2.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.331 -0.856 . . . . 0.0 113.245 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -94.45 117.9 30.83 Favored 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 118.936 0.789 . . . . 0.0 110.172 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.56 120.76 17.87 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.506 0.722 . . . . 0.0 109.497 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -83.76 81.19 8.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.045 -1.034 . . . . 0.0 110.388 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -164.16 140.26 6.32 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.349 1.459 . . . . 0.0 107.393 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.283 9.2 p -78.5 87.19 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.657 -1.277 . . . . 0.0 110.959 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -71.6 103.88 3.15 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 123.832 0.853 . . . . 0.0 112.321 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -98.04 115.41 28.16 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 126.98 31.24 Favored 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.251 13.1 pt-20 -74.33 73.32 1.84 Allowed 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -174.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -150.5 99.12 2.73 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.97 131.89 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.0 108.637 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.87 -118.02 1.33 Allowed Glycine 0 N--CA 1.486 2.021 0 O-C-N 121.768 -0.583 . . . . 0.0 113.448 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 t -129.09 137.83 51.48 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.138 0.575 . . . . 0.0 110.26 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -74.17 83.36 1.83 Allowed 'General case' 0 CA--C 1.57 1.736 0 CA-C-O 122.14 0.971 . . . . 0.0 112.94 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -99.16 141.01 32.48 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.783 0.833 . . . . 0.0 112.014 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.35 -85.79 0.39 Allowed Glycine 0 N--CA 1.487 2.091 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 130.65 34.64 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 pt -138.29 117.14 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -83.43 147.48 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 120.962 -1.086 . . . . 0.0 111.882 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.58 -74.7 1.03 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 tp -84.3 127.3 33.88 Favored 'General case' 0 CA--C 1.567 1.607 0 CA-C-O 121.154 0.502 . . . . 0.0 111.136 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -88.47 112.34 22.85 Favored 'General case' 0 CA--C 1.564 1.515 0 O-C-N 121.833 -0.542 . . . . 0.0 109.923 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.55 113.47 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.696 -0.628 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.85 -81.2 1.19 Allowed Glycine 0 N--CA 1.489 2.208 0 O-C-N 121.79 -0.569 . . . . 0.0 114.115 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.67 85.27 0.11 Allowed Glycine 0 N--CA 1.483 1.822 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.37 -83.42 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 172.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 CA--C 1.565 1.52 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 -45.73 27.15 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.16 144.15 30.94 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.631 1.205 . . . . 0.0 113.115 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.2 131.2 34.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 0.0 111.602 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.275 0.9 OUTLIER -79.09 -58.98 2.96 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -148.79 107.73 3.87 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -134.01 113.02 11.69 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.2 p -134.17 121.24 21.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.19 0.596 . . . . 0.0 110.718 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.78 -129.75 9.5 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -138.93 123.8 18.77 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.251 13.4 pt-20 -83.18 83.58 7.8 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 122.476 1.131 . . . . 0.0 111.935 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -86.87 112.57 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.215 -0.928 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -79.39 -53.39 6.96 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -130.07 123.67 31.02 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.782 0.833 . . . . 0.0 109.021 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -136.86 131.51 33.3 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.7 0.8 . . . . 0.0 108.853 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -83.2 71.29 10.2 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 122.585 1.183 . . . . 0.0 111.145 170.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp 178.78 140.04 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.238 2.215 . . . . 0.0 105.542 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -74.97 105.06 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.133 -1.604 . . . . 0.0 108.911 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -65.0 136.99 57.44 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -95.71 115.0 26.8 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 78.19 9.76 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-O 121.906 0.86 . . . . 0.0 112.045 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.3 141.44 26.1 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.093 0.957 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -77.72 99.01 5.68 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-O 122.628 1.204 . . . . 0.0 112.153 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -103.78 98.46 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.29 -41.44 2.47 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -171.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -78.28 65.15 3.56 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 119.278 1.539 . . . . 0.0 114.776 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -169.38 -46.47 0.02 OUTLIER 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 126.052 1.741 . . . . 0.0 110.444 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.16 149.17 45.97 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.57 -88.21 0.07 OUTLIER Glycine 0 N--CA 1.485 1.937 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.115 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.88 132.54 34.78 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.36 136.23 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.626 -0.671 . . . . 0.0 111.952 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.27 139.84 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.496 -0.753 . . . . 0.0 111.839 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.81 69.89 2.98 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 115.516 0.966 . . . . 0.0 115.516 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.68 113.07 24.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.561 0.744 . . . . 0.0 109.19 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.4 mmt -88.27 117.32 27.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.818 -0.551 . . . . 0.0 109.993 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.96 102.66 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -85.87 1.27 Allowed Glycine 0 N--CA 1.488 2.139 0 O-C-N 121.934 -0.479 . . . . 0.0 113.348 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.67 85.92 0.06 OUTLIER Glycine 0 N--CA 1.482 1.712 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.76 93.67 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.496 1.832 0 C-N-CA 123.136 0.575 . . . . 0.0 109.921 177.135 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.376 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -126.36 113.33 16.76 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.49 120.05 31.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.588 -0.695 . . . . 0.0 109.957 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -88.04 119.49 28.45 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.191 0.519 . . . . 0.0 110.174 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -101.23 122.93 44.55 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.313 0.645 . . . . 0.0 109.856 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -130.13 -60.48 1.01 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.091 0.556 . . . . 0.0 111.365 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -134.7 125.41 26.99 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 119.435 1.016 . . . . 0.0 110.42 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.15 81.73 0.03 OUTLIER Glycine 0 N--CA 1.485 1.957 0 O-C-N 121.875 -0.516 . . . . 0.0 112.176 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.489 1.497 0 C-N-CA 122.897 0.479 . . . . 0.0 110.841 177.846 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.316 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.56 113.97 26.39 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.468 0.652 . . . . 0.0 109.669 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -90.03 122.13 32.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.667 -0.646 . . . . 0.0 110.063 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -87.61 122.15 30.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.761 -0.587 . . . . 0.0 110.267 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -77.65 -50.0 13.39 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -83.17 122.34 28.26 Favored 'General case' 0 CA--C 1.567 1.63 0 CA-C-O 122.045 0.926 . . . . 0.0 111.892 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -92.35 124.28 36.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 111.114 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.01 81.85 1.66 Allowed Glycine 0 N--CA 1.488 2.127 0 O-C-N 121.636 -0.665 . . . . 0.0 114.198 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.287 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -114.12 78.26 1.13 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 120.3 1.409 . . . . 0.0 112.233 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -143.29 117.31 9.44 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.25 119.77 30.84 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 121.773 -0.579 . . . . 0.0 109.752 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -126.25 112.59 15.92 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -127.22 -61.13 1.17 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.197 0.599 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -72.02 -35.37 69.39 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.65 -89.67 1.61 Allowed Glycine 0 N--CA 1.485 1.93 0 CA-C-N 119.35 0.977 . . . . 0.0 113.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.147 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -143.06 100.6 3.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -145.74 120.15 9.65 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.07 125.91 29.01 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -89.34 122.95 33.07 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 121.925 -0.484 . . . . 0.0 110.807 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -129.3 124.69 35.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 t -82.81 135.1 35.07 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.453 -0.779 . . . . 0.0 112.636 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.17 -84.42 0.05 OUTLIER Glycine 0 N--CA 1.485 1.964 0 O-C-N 122.007 -0.433 . . . . 0.0 112.32 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.065 0.459 . . . . 0.0 110.259 176.654 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.407 0 CA-C-O 121.798 0.809 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -99.81 108.95 21.37 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -149.29 122.29 8.81 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 36.7 ptt180 -122.43 -68.62 0.88 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -146.94 113.29 5.91 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.45 112.14 13.49 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.7 p -135.59 121.62 20.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.326 0.651 . . . . 0.0 110.16 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.85 175.63 41.67 Favored Glycine 0 CA--C 1.541 1.659 0 CA-C-O 122.82 1.234 . . . . 0.0 114.725 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 177.642 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.36 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -130.51 112.5 13.26 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -133.92 119.48 19.15 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -91.51 112.23 24.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.807 -0.558 . . . . 0.0 109.596 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -90.28 119.92 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.878 0.471 . . . . 0.0 110.197 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -122.6 -63.44 1.28 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.227 0.611 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m -84.76 130.25 34.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.937 . . . . 0.0 112.157 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.74 -107.26 1.37 Allowed Glycine 0 N--CA 1.488 2.125 0 O-C-N 121.863 -0.523 . . . . 0.0 113.641 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 CA--C 1.565 1.552 0 CA-C-O 121.971 0.891 . . . . 0.0 111.137 176.593 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.284 0 CA-C-O 121.456 0.646 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.48 81.69 5.94 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 122.486 1.136 . . . . 0.0 110.812 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -145.43 118.91 9.05 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.16 121.27 29.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.752 -0.593 . . . . 0.0 110.145 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -92.8 125.95 37.65 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.212 0.605 . . . . 0.0 110.362 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.93 120.58 28.35 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.494 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -123.5 130.72 53.11 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.356 0.662 . . . . 0.0 111.284 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.79 -78.11 1.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 p90 . . . . . 0 CA--C 1.567 1.609 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 174.464 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.566 1.572 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -91.97 113.68 26.02 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 118.928 0.786 . . . . 0.0 110.025 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -91.32 121.8 33.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.638 -0.664 . . . . 0.0 110.022 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.17 136.91 35.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.592 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -95.91 109.98 22.25 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.8 -48.58 13.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.8 t -78.81 131.6 36.56 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 119.476 1.034 . . . . 0.0 113.299 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.44 -86.11 0.07 OUTLIER Glycine 0 N--CA 1.485 1.951 0 O-C-N 121.303 -0.873 . . . . 0.0 112.117 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 p90 . . . . . 0 CA--C 1.568 1.647 0 CA-C-O 121.472 0.653 . . . . 0.0 111.166 174.763 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.622 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.16 144.15 30.94 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.631 1.205 . . . . 0.0 113.115 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.2 131.2 34.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 0.0 111.602 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.275 0.9 OUTLIER -79.09 -58.98 2.96 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -148.79 107.73 3.87 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -134.01 113.02 11.69 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.2 p -134.17 121.24 21.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.19 0.596 . . . . 0.0 110.718 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.78 -129.75 9.5 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.283 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 CA--C 1.564 1.488 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.58 130.96 34.44 Favored 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -126.36 113.33 16.76 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.49 120.05 31.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.588 -0.695 . . . . 0.0 109.957 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -88.04 119.49 28.45 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.191 0.519 . . . . 0.0 110.174 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -101.23 122.93 44.55 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.313 0.645 . . . . 0.0 109.856 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -130.13 -60.48 1.01 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.091 0.556 . . . . 0.0 111.365 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -134.7 125.41 26.99 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 119.435 1.016 . . . . 0.0 110.42 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.15 81.73 0.03 OUTLIER Glycine 0 N--CA 1.485 1.957 0 O-C-N 121.875 -0.516 . . . . 0.0 112.176 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -88.49 127.11 35.52 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.897 0.479 . . . . 0.0 110.841 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -89.83 -1.58 58.02 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -154.89 120.41 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -122.68 -77.6 0.59 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.222 -0.924 . . . . 0.0 110.332 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -136.96 83.22 1.98 Allowed 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 119.44 1.018 . . . . 0.0 108.777 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.82 120.49 6.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -80.71 76.77 7.6 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 122.178 0.99 . . . . 0.0 111.945 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -169.11 139.17 2.22 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.608 1.563 . . . . 0.0 107.781 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -75.05 98.14 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.958 -1.089 . . . . 0.0 110.2 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.46 136.64 58.0 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -89.3 117.52 28.31 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.054 0.454 . . . . 0.0 109.81 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 156.41 38.86 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.281 13.4 pt-20 -75.69 63.24 1.57 Allowed 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -159.5 95.38 1.22 Allowed 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.01 103.86 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.45 82.76 0.12 Allowed Glycine 0 N--CA 1.484 1.898 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -174.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -99.08 143.86 28.88 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.043 0.537 . . . . 0.0 111.594 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -73.75 112.95 10.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.666 -0.646 . . . . 0.0 111.27 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -135.58 141.41 45.15 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.78 0.832 . . . . 0.0 109.251 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.82 -87.69 0.07 OUTLIER Glycine 0 N--CA 1.485 1.937 0 O-C-N 121.654 -0.654 . . . . 0.0 111.867 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.9 130.07 34.71 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -131.58 99.47 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 104.199 -2.519 . . . . 0.0 104.199 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 tp -82.19 140.43 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.26 -0.9 . . . . 0.0 111.82 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.66 79.93 0.06 OUTLIER Glycine 0 N--CA 1.483 1.829 0 O-C-N 121.821 -0.549 . . . . 0.0 111.862 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' H ' HD23 ' A' ' 34' ' ' LEU . 2.5 pt? -84.87 127.67 34.26 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.337 0.589 . . . . 0.0 112.422 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.3 ttp -91.22 111.49 22.99 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.049 0.539 . . . . 0.0 109.67 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -103.2 103.57 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.8 -82.99 0.05 OUTLIER Glycine 0 N--CA 1.484 1.884 0 O-C-N 121.913 -0.492 . . . . 0.0 112.923 -175.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.64 -77.4 1.03 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.6 105.28 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.747 177.151 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 CA--C 1.564 1.519 0 CA-C-O 120.776 0.322 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.97 130.83 34.29 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.685 -0.634 . . . . 0.0 112.578 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.56 113.97 26.39 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.468 0.652 . . . . 0.0 109.669 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -90.03 122.13 32.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.667 -0.646 . . . . 0.0 110.063 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -87.61 122.15 30.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.761 -0.587 . . . . 0.0 110.267 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -77.65 -50.0 13.39 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -83.17 122.34 28.26 Favored 'General case' 0 CA--C 1.567 1.63 0 CA-C-O 122.045 0.926 . . . . 0.0 111.892 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -92.35 124.28 36.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 111.114 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.01 81.85 1.66 Allowed Glycine 0 N--CA 1.488 2.127 0 O-C-N 121.636 -0.665 . . . . 0.0 114.198 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -138.78 114.02 9.51 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.65 85.35 2.3 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.424 1.106 . . . . 0.0 109.885 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 m -144.17 116.02 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -80.71 -55.33 4.91 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -137.45 116.81 12.74 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -132.11 106.74 8.18 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.273 23.5 pttm -96.85 64.96 2.09 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.545 1.164 . . . . 0.0 112.135 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -162.7 125.38 2.77 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.3 m -69.33 106.19 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.076 . . . . 0.0 111.448 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -80.9 107.3 13.6 Favored 'General case' 0 CA--C 1.559 1.326 0 O-C-N 121.286 -0.884 . . . . 0.0 109.672 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -92.75 113.97 26.4 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 129.28 38.45 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 122.062 -0.399 . . . . 0.0 111.877 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.276 12.6 pt-20 -74.72 71.38 1.94 Allowed 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 123.573 1.654 . . . . 0.0 115.077 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -163.98 95.82 0.79 Allowed 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.14 142.46 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.689 -1.257 . . . . 0.0 111.786 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.39 87.45 1.89 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 121.676 -0.64 . . . . 0.0 113.26 -174.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -125.63 38.02 4.25 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -148.83 85.0 1.47 Allowed 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.63 139.78 26.88 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.43 -89.0 0.07 OUTLIER Glycine 0 N--CA 1.485 1.904 0 O-C-N 121.715 -0.615 . . . . 0.0 111.711 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.27 130.65 34.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tp -137.8 92.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.73 144.8 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.964 -1.085 . . . . 0.0 112.053 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.04 -77.33 0.05 OUTLIER Glycine 0 N--CA 1.488 2.128 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.926 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -85.93 138.44 32.01 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 122.988 0.515 . . . . 0.0 110.917 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.8 ptm -85.86 96.44 9.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.275 -0.89 . . . . 0.0 111.563 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.1 t -106.0 103.05 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.01 86.79 0.08 OUTLIER Glycine 0 N--CA 1.484 1.859 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.51 86.69 0.07 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.318 9.4 p -132.35 -68.43 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-O 118.673 -0.679 . . . . 0.0 110.847 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 173.047 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.572 1.82 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.99 -46.13 45.65 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -114.12 78.26 1.13 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 120.3 1.409 . . . . 0.0 112.233 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -143.29 117.31 9.44 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.25 119.77 30.84 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 121.773 -0.579 . . . . 0.0 109.752 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -126.25 112.59 15.92 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -127.22 -61.13 1.17 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.197 0.599 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -72.02 -35.37 69.39 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.65 -89.67 1.61 Allowed Glycine 0 N--CA 1.485 1.93 0 CA-C-N 119.35 0.977 . . . . 0.0 113.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -134.18 117.72 16.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -90.51 84.23 5.94 Favored 'General case' 0 CA--C 1.568 1.642 0 CA-C-O 121.805 0.812 . . . . 0.0 109.939 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 124.93 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -77.07 -51.5 10.95 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -136.88 125.02 22.98 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.97 0.804 . . . . 0.0 109.008 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.71 91.25 8.57 Favored 'General case' 0 CA--C 1.564 1.506 0 O-C-N 121.627 -0.67 . . . . 0.0 109.933 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -90.19 75.87 6.94 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 122.287 1.041 . . . . 0.0 110.186 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -174.26 136.55 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 126.042 1.737 . . . . 0.0 106.463 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.23 99.72 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -64.42 135.0 55.67 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.74 122.92 13.75 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.43 46.48 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 121.493 -0.755 . . . . 0.0 112.552 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.33 78.67 2.41 Favored 'General case' 0 CA--C 1.575 1.926 0 CA-C-O 123.048 1.404 . . . . 0.0 113.09 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -152.05 77.48 1.21 Allowed 'General case' 0 CA--C 1.566 1.574 0 CA-C-O 122.663 1.221 . . . . 0.0 108.347 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -150.47 83.29 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.676 -1.265 . . . . 0.0 107.85 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.3 45.89 64.35 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 119.947 2.739 . . . . 0.0 119.947 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -81.88 143.44 31.7 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 117.905 0.853 . . . . 0.0 112.596 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.73 87.73 2.21 Favored 'General case' 0 CA--C 1.571 1.75 0 CA-C-O 122.159 0.981 . . . . 0.0 111.479 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -96.16 142.76 27.96 Favored 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 123.898 0.879 . . . . 0.0 110.419 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.27 -84.4 0.05 OUTLIER Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.813 -0.555 . . . . 0.0 111.836 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.3 130.38 35.08 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -140.08 124.63 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -78.69 143.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.944 -1.098 . . . . 0.0 112.294 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.61 89.92 0.14 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 tp -88.44 116.86 26.97 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.97 0.508 . . . . 0.0 109.951 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.7 tpt -89.73 116.44 27.84 Favored 'General case' 0 CA--C 1.562 1.414 0 O-C-N 121.919 -0.488 . . . . 0.0 109.955 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -99.36 103.11 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -87.33 0.07 OUTLIER Glycine 0 N--CA 1.484 1.882 0 CA-C-O 119.793 -0.448 . . . . 0.0 112.377 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -85.97 1.27 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 114.404 0.522 . . . . 0.0 114.404 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 m -86.82 118.44 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 CA-C-N 117.551 0.675 . . . . 0.0 110.234 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.496 1.85 0 C-N-CA 123.095 0.558 . . . . 0.0 110.329 174.173 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 CA--C 1.567 1.605 0 CA-C-O 120.794 0.33 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 -58.1 3.09 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -143.06 100.6 3.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -145.74 120.15 9.65 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.07 125.91 29.01 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -89.34 122.95 33.07 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 121.925 -0.484 . . . . 0.0 110.807 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -129.3 124.69 35.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 t -82.81 135.1 35.07 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.453 -0.779 . . . . 0.0 112.636 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.17 -84.42 0.05 OUTLIER Glycine 0 N--CA 1.485 1.964 0 O-C-N 122.007 -0.433 . . . . 0.0 112.32 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -91.12 117.08 29.32 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.065 0.459 . . . . 0.0 110.259 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.87 83.03 4.31 Favored 'General case' 0 CA--C 1.566 1.585 0 CA-C-O 121.977 0.894 . . . . 0.0 109.795 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -143.59 111.6 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.49 -58.69 3.08 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -100.48 107.8 19.6 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -84.27 132.79 34.6 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 123.254 0.621 . . . . 0.0 112.277 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -90.7 74.36 6.65 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 122.337 1.065 . . . . 0.0 109.786 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.07 126.49 2.43 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p -71.17 86.63 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 CA-C-O 122.343 1.068 . . . . 0.0 112.165 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -87.03 120.53 28.4 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.66 0.784 . . . . 0.0 109.486 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -94.07 114.77 27.0 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.04 64.99 7.92 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 122.34 1.067 . . . . 0.0 113.411 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -157.86 148.29 20.67 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 125.09 1.356 . . . . 0.0 109.324 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.05 99.13 2.68 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 121.038 -1.039 . . . . 0.0 111.023 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -100.73 103.8 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.22 83.11 0.09 OUTLIER Glycine 0 N--CA 1.478 1.497 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -141.58 57.36 1.51 Allowed 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.696 1.236 . . . . 0.0 112.11 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -157.25 100.67 1.85 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 103.807 -2.664 . . . . 0.0 103.807 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -134.3 137.49 44.26 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.22 -86.78 0.06 OUTLIER Glycine 0 N--CA 1.487 2.082 0 O-C-N 121.608 -0.682 . . . . 0.0 112.015 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.87 126.44 34.06 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tp -95.56 92.91 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 tp -83.04 132.16 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.103 -0.998 . . . . 0.0 111.199 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.41 79.23 0.05 OUTLIER Glycine 0 N--CA 1.484 1.836 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -133.93 117.25 16.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 59.4 mtm -89.76 122.63 33.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.615 . . . . 0.0 110.21 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.08 96.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.86 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.484 1.893 0 O-C-N 121.531 -0.73 . . . . 0.0 111.945 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.34 86.78 0.06 OUTLIER Glycine 0 N--CA 1.485 1.931 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.32 9.3 p -133.5 -68.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.005 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.065 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.49 88.48 7.69 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 121.798 0.809 . . . . 0.0 111.418 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -99.81 108.95 21.37 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -149.29 122.29 8.81 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 36.7 ptt180 -122.43 -68.62 0.88 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -146.94 113.29 5.91 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.45 112.14 13.49 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.7 p -135.59 121.62 20.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.326 0.651 . . . . 0.0 110.16 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.85 175.63 41.67 Favored Glycine 0 CA--C 1.541 1.659 0 CA-C-O 122.82 1.234 . . . . 0.0 114.725 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -134.88 112.85 11.0 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.27 87.75 6.19 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.189 0.995 . . . . 0.0 109.483 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.38 104.36 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -87.97 -66.15 0.94 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.772 -0.58 . . . . 0.0 112.402 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -132.76 94.59 3.42 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -143.96 90.34 2.12 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -95.56 74.81 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.916 0.865 . . . . 0.0 109.599 173.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -163.63 137.63 5.79 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.79 98.57 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.939 -1.101 . . . . 0.0 109.785 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -72.22 135.34 46.04 Favored 'General case' 0 CA--C 1.565 1.519 0 O-C-N 121.511 -0.743 . . . . 0.0 112.484 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -89.6 116.14 27.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.31 155.01 37.06 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.278 13.0 pt-20 -75.59 67.9 2.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 123.563 1.649 . . . . 0.0 115.106 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -164.61 101.77 0.81 Allowed 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 p -137.59 139.44 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.491 -1.381 . . . . 0.0 110.113 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 78.21 1.38 Allowed Glycine 0 N--CA 1.488 2.139 0 O-C-N 121.885 -0.509 . . . . 0.0 113.613 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -132.52 138.29 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.446 0.698 . . . . 0.0 109.838 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -74.33 83.97 1.92 Allowed 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 122.326 1.06 . . . . 0.0 112.913 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -91.61 140.95 29.23 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.686 0.795 . . . . 0.0 110.668 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.27 -89.8 0.08 OUTLIER Glycine 0 N--CA 1.483 1.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.21 127.11 35.73 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 tp -91.2 90.42 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.401 0.619 . . . . 0.0 109.373 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -81.62 143.93 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.263 -0.898 . . . . 0.0 111.618 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.17 87.79 0.09 OUTLIER Glycine 0 N--CA 1.482 1.753 0 O-C-N 121.489 -0.757 . . . . 0.0 111.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.14 115.45 28.02 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.1 mtm -89.92 122.24 32.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.792 -0.567 . . . . 0.0 110.063 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.38 91.09 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.75 0.786 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.75 -84.79 1.47 Allowed Glycine 0 N--CA 1.488 2.166 0 O-C-N 121.738 -0.601 . . . . 0.0 113.109 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.93 85.09 0.08 OUTLIER Glycine 0 N--CA 1.482 1.708 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -90.63 111.47 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.101 174.577 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.7 132.01 34.89 Favored 'General case' 0 CA--C 1.56 1.36 0 CA-C-N 119.89 1.223 . . . . 0.0 113.046 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -130.51 112.5 13.26 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -133.92 119.48 19.15 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -91.51 112.23 24.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.807 -0.558 . . . . 0.0 109.596 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -90.28 119.92 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.878 0.471 . . . . 0.0 110.197 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -122.6 -63.44 1.28 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.227 0.611 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m -84.76 130.25 34.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.937 . . . . 0.0 112.157 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.74 -107.26 1.37 Allowed Glycine 0 N--CA 1.488 2.125 0 O-C-N 121.863 -0.523 . . . . 0.0 113.641 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -90.58 93.53 9.32 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 121.971 0.891 . . . . 0.0 111.137 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -98.81 89.69 4.42 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.33 149.7 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-O 122.023 0.916 . . . . 0.0 109.82 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.5 160.52 27.43 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.027 -1.046 . . . . 0.0 113.736 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -52.79 101.9 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -130.89 100.37 5.23 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -87.08 69.96 10.2 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-O 122.397 1.094 . . . . 0.0 110.323 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 tp -165.45 136.85 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.19 86.35 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.984 -1.072 . . . . 0.0 110.684 171.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -82.85 130.24 35.11 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.537 -0.727 . . . . 0.0 111.255 -175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -134.66 112.57 10.91 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.51 65.91 8.65 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-O 122.198 0.999 . . . . 0.0 113.343 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.41 147.79 20.97 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.908 1.283 . . . . 0.0 109.393 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.05 95.03 1.16 Allowed 'General case' 0 CA--C 1.57 1.747 0 CA-C-O 122.745 1.26 . . . . 0.0 112.974 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.1 t -98.87 105.16 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -144.5 85.84 0.18 Allowed Glycine 0 N--CA 1.484 1.849 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -86.89 144.2 27.09 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -75.39 90.1 2.66 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 121.923 0.868 . . . . 0.0 110.791 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -88.34 142.95 27.32 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 123.662 0.785 . . . . 0.0 110.964 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.79 -82.45 0.04 OUTLIER Glycine 0 N--CA 1.486 1.984 0 O-C-N 121.856 -0.527 . . . . 0.0 112.115 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.09 133.46 35.48 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 tt -82.3 143.39 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.94 0 O-C-N 121.6 -0.688 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -77.18 144.04 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.25 -0.906 . . . . 0.0 112.694 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.64 -79.41 1.11 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 115.231 0.852 . . . . 0.0 115.231 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.6 123.38 31.72 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 117.286 0.543 . . . . 0.0 110.487 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 ttt -93.04 116.96 29.54 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 123.169 0.588 . . . . 0.0 109.953 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.36 110.92 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.619 -0.676 . . . . 0.0 110.11 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.24 -88.55 0.07 OUTLIER Glycine 0 N--CA 1.485 1.922 0 O-C-N 121.734 -0.604 . . . . 0.0 112.228 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.45 179.24 46.78 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.267 19.0 m -80.57 -61.42 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.411 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 CA--C 1.568 1.649 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.31 96.6 10.78 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 119.667 1.122 . . . . 0.0 111.3 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.48 81.69 5.94 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 122.486 1.136 . . . . 0.0 110.812 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -145.43 118.91 9.05 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.16 121.27 29.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.752 -0.593 . . . . 0.0 110.145 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -92.8 125.95 37.65 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.212 0.605 . . . . 0.0 110.362 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.93 120.58 28.35 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.494 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -123.5 130.72 53.11 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.356 0.662 . . . . 0.0 111.284 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.79 -78.11 1.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -77.19 124.87 28.44 Favored 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.41 77.87 3.89 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.989 0.9 . . . . 0.0 110.318 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 m -147.11 108.07 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -82.77 -57.0 3.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 113.226 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -139.97 129.55 24.32 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 119.362 0.983 . . . . 0.0 109.711 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -84.24 130.95 34.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.439 -0.788 . . . . 0.0 111.173 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -84.89 69.24 10.73 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 122.512 1.148 . . . . 0.0 111.279 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp 177.69 147.23 0.13 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 126.829 2.051 . . . . 0.0 107.008 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -69.01 94.17 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.131 -1.606 . . . . 0.0 111.722 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -93.16 94.78 9.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.8 101.28 5.21 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 67.46 5.41 Favored 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 122.14 0.971 . . . . 0.0 112.789 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -156.79 131.4 8.77 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.746 1.218 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.67 106.08 18.26 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.14 140.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 122.44 1.114 . . . . 0.0 110.106 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.43 81.67 0.08 OUTLIER Glycine 0 N--CA 1.48 1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 112.296 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -145.36 75.11 1.42 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 122.468 1.128 . . . . 0.0 109.737 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -163.54 -46.78 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.756 1.223 . . . . 0.0 110.487 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -68.84 140.57 55.23 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.08 -90.29 0.11 Allowed Glycine 0 N--CA 1.486 1.992 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.17 133.16 34.21 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -126.92 108.36 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -80.72 137.13 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.13 -0.982 . . . . 0.0 111.761 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.06 84.13 0.31 Allowed Glycine 0 N--CA 1.486 2.024 0 O-C-N 121.968 -0.457 . . . . 0.0 112.121 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 tp -89.55 113.24 24.63 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.938 0.495 . . . . 0.0 109.689 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -133.95 116.04 15.1 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.7 t -101.25 101.38 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.67 -86.32 1.31 Allowed Glycine 0 N--CA 1.487 2.084 0 O-C-N 122.161 -0.337 . . . . 0.0 113.289 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.55 84.5 0.06 OUTLIER Glycine 0 N--CA 1.483 1.798 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.8 t -136.48 102.1 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 118.148 -0.929 . . . . 0.0 109.693 -179.685 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 -48.61 17.86 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -91.97 113.68 26.02 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 118.928 0.786 . . . . 0.0 110.025 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -91.32 121.8 33.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.638 -0.664 . . . . 0.0 110.022 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.17 136.91 35.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.592 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -95.91 109.98 22.25 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.8 -48.58 13.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.8 t -78.81 131.6 36.56 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 119.476 1.034 . . . . 0.0 113.299 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.44 -86.11 0.07 OUTLIER Glycine 0 N--CA 1.485 1.951 0 O-C-N 121.303 -0.873 . . . . 0.0 112.117 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -87.09 95.01 9.8 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-O 121.472 0.653 . . . . 0.0 111.166 174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -123.49 95.55 4.63 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.05 121.83 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -80.2 -59.36 2.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.331 -0.856 . . . . 0.0 113.245 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -94.45 117.9 30.83 Favored 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 118.936 0.789 . . . . 0.0 110.172 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.56 120.76 17.87 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.506 0.722 . . . . 0.0 109.497 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -83.76 81.19 8.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.045 -1.034 . . . . 0.0 110.388 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -164.16 140.26 6.32 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.349 1.459 . . . . 0.0 107.393 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.283 9.2 p -78.5 87.19 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.657 -1.277 . . . . 0.0 110.959 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -71.6 103.88 3.15 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 123.832 0.853 . . . . 0.0 112.321 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -98.04 115.41 28.16 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 126.98 31.24 Favored 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.251 13.1 pt-20 -74.33 73.32 1.84 Allowed 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -174.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -150.5 99.12 2.73 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.97 131.89 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.0 108.637 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.87 -118.02 1.33 Allowed Glycine 0 N--CA 1.486 2.021 0 O-C-N 121.768 -0.583 . . . . 0.0 113.448 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 t -129.09 137.83 51.48 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.138 0.575 . . . . 0.0 110.26 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -74.17 83.36 1.83 Allowed 'General case' 0 CA--C 1.57 1.736 0 CA-C-O 122.14 0.971 . . . . 0.0 112.94 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -99.16 141.01 32.48 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.783 0.833 . . . . 0.0 112.014 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.35 -85.79 0.39 Allowed Glycine 0 N--CA 1.487 2.091 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 130.65 34.64 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 pt -138.29 117.14 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -83.43 147.48 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 120.962 -1.086 . . . . 0.0 111.882 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.58 -74.7 1.03 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 tp -84.3 127.3 33.88 Favored 'General case' 0 CA--C 1.567 1.607 0 CA-C-O 121.154 0.502 . . . . 0.0 111.136 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -88.47 112.34 22.85 Favored 'General case' 0 CA--C 1.564 1.515 0 O-C-N 121.833 -0.542 . . . . 0.0 109.923 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.55 113.47 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.696 -0.628 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.85 -81.2 1.19 Allowed Glycine 0 N--CA 1.489 2.208 0 O-C-N 121.79 -0.569 . . . . 0.0 114.115 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.67 85.27 0.11 Allowed Glycine 0 N--CA 1.483 1.822 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.37 -83.42 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 172.706 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 CA--C 1.565 1.52 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 -45.73 27.15 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.16 144.15 30.94 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.631 1.205 . . . . 0.0 113.115 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.2 131.2 34.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 0.0 111.602 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.275 0.9 OUTLIER -79.09 -58.98 2.96 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -148.79 107.73 3.87 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -134.01 113.02 11.69 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.2 p -134.17 121.24 21.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.19 0.596 . . . . 0.0 110.718 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.78 -129.75 9.5 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -138.93 123.8 18.77 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.251 13.4 pt-20 -83.18 83.58 7.8 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 122.476 1.131 . . . . 0.0 111.935 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -86.87 112.57 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.215 -0.928 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -79.39 -53.39 6.96 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -130.07 123.67 31.02 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.782 0.833 . . . . 0.0 109.021 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -136.86 131.51 33.3 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.7 0.8 . . . . 0.0 108.853 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -83.2 71.29 10.2 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 122.585 1.183 . . . . 0.0 111.145 170.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp 178.78 140.04 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.238 2.215 . . . . 0.0 105.542 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -74.97 105.06 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.133 -1.604 . . . . 0.0 108.911 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -65.0 136.99 57.44 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -95.71 115.0 26.8 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 78.19 9.76 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-O 121.906 0.86 . . . . 0.0 112.045 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.3 141.44 26.1 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.093 0.957 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -77.72 99.01 5.68 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-O 122.628 1.204 . . . . 0.0 112.153 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -103.78 98.46 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.29 -41.44 2.47 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -171.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -78.28 65.15 3.56 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 119.278 1.539 . . . . 0.0 114.776 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -169.38 -46.47 0.02 OUTLIER 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 126.052 1.741 . . . . 0.0 110.444 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.16 149.17 45.97 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.57 -88.21 0.07 OUTLIER Glycine 0 N--CA 1.485 1.937 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.115 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.88 132.54 34.78 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.36 136.23 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.626 -0.671 . . . . 0.0 111.952 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.27 139.84 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.496 -0.753 . . . . 0.0 111.839 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.81 69.89 2.98 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 115.516 0.966 . . . . 0.0 115.516 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.68 113.07 24.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.561 0.744 . . . . 0.0 109.19 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.4 mmt -88.27 117.32 27.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.818 -0.551 . . . . 0.0 109.993 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.96 102.66 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -85.87 1.27 Allowed Glycine 0 N--CA 1.488 2.139 0 O-C-N 121.934 -0.479 . . . . 0.0 113.348 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.67 85.92 0.06 OUTLIER Glycine 0 N--CA 1.482 1.712 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.76 93.67 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.496 1.832 0 C-N-CA 123.136 0.575 . . . . 0.0 109.921 177.135 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 1.376 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -126.36 113.33 16.76 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.49 120.05 31.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.588 -0.695 . . . . 0.0 109.957 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -88.04 119.49 28.45 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.191 0.519 . . . . 0.0 110.174 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -101.23 122.93 44.55 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.313 0.645 . . . . 0.0 109.856 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -130.13 -60.48 1.01 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.091 0.556 . . . . 0.0 111.365 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -134.7 125.41 26.99 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 119.435 1.016 . . . . 0.0 110.42 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.15 81.73 0.03 OUTLIER Glycine 0 N--CA 1.485 1.957 0 O-C-N 121.875 -0.516 . . . . 0.0 112.176 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.489 1.497 0 C-N-CA 122.897 0.479 . . . . 0.0 110.841 177.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.316 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.56 113.97 26.39 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.468 0.652 . . . . 0.0 109.669 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -90.03 122.13 32.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.667 -0.646 . . . . 0.0 110.063 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -87.61 122.15 30.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.761 -0.587 . . . . 0.0 110.267 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -77.65 -50.0 13.39 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -83.17 122.34 28.26 Favored 'General case' 0 CA--C 1.567 1.63 0 CA-C-O 122.045 0.926 . . . . 0.0 111.892 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -92.35 124.28 36.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 111.114 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.01 81.85 1.66 Allowed Glycine 0 N--CA 1.488 2.127 0 O-C-N 121.636 -0.665 . . . . 0.0 114.198 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.287 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -114.12 78.26 1.13 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 120.3 1.409 . . . . 0.0 112.233 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -143.29 117.31 9.44 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.25 119.77 30.84 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 121.773 -0.579 . . . . 0.0 109.752 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -126.25 112.59 15.92 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -127.22 -61.13 1.17 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.197 0.599 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -72.02 -35.37 69.39 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.65 -89.67 1.61 Allowed Glycine 0 N--CA 1.485 1.93 0 CA-C-N 119.35 0.977 . . . . 0.0 113.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.147 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 1.532 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -143.06 100.6 3.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -145.74 120.15 9.65 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.07 125.91 29.01 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -89.34 122.95 33.07 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 121.925 -0.484 . . . . 0.0 110.807 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -129.3 124.69 35.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 t -82.81 135.1 35.07 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.453 -0.779 . . . . 0.0 112.636 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.17 -84.42 0.05 OUTLIER Glycine 0 N--CA 1.485 1.964 0 O-C-N 122.007 -0.433 . . . . 0.0 112.32 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.065 0.459 . . . . 0.0 110.259 176.654 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.407 0 CA-C-O 121.798 0.809 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -99.81 108.95 21.37 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -149.29 122.29 8.81 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 36.7 ptt180 -122.43 -68.62 0.88 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -146.94 113.29 5.91 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.45 112.14 13.49 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.7 p -135.59 121.62 20.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.326 0.651 . . . . 0.0 110.16 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.85 175.63 41.67 Favored Glycine 0 CA--C 1.541 1.659 0 CA-C-O 122.82 1.234 . . . . 0.0 114.725 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 177.642 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.36 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -130.51 112.5 13.26 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -133.92 119.48 19.15 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -91.51 112.23 24.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.807 -0.558 . . . . 0.0 109.596 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -90.28 119.92 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.878 0.471 . . . . 0.0 110.197 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -122.6 -63.44 1.28 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.227 0.611 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m -84.76 130.25 34.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.937 . . . . 0.0 112.157 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.74 -107.26 1.37 Allowed Glycine 0 N--CA 1.488 2.125 0 O-C-N 121.863 -0.523 . . . . 0.0 113.641 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 CA--C 1.565 1.552 0 CA-C-O 121.971 0.891 . . . . 0.0 111.137 176.593 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.284 0 CA-C-O 121.456 0.646 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.48 81.69 5.94 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 122.486 1.136 . . . . 0.0 110.812 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -145.43 118.91 9.05 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.16 121.27 29.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.752 -0.593 . . . . 0.0 110.145 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -92.8 125.95 37.65 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.212 0.605 . . . . 0.0 110.362 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.93 120.58 28.35 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.494 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -123.5 130.72 53.11 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.356 0.662 . . . . 0.0 111.284 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.79 -78.11 1.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 p90 . . . . . 0 CA--C 1.567 1.609 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 174.464 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.566 1.572 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -91.97 113.68 26.02 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 118.928 0.786 . . . . 0.0 110.025 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -91.32 121.8 33.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.638 -0.664 . . . . 0.0 110.022 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.17 136.91 35.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.592 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -95.91 109.98 22.25 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.8 -48.58 13.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.8 t -78.81 131.6 36.56 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 119.476 1.034 . . . . 0.0 113.299 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.44 -86.11 0.07 OUTLIER Glycine 0 N--CA 1.485 1.951 0 O-C-N 121.303 -0.873 . . . . 0.0 112.117 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 p90 . . . . . 0 CA--C 1.568 1.647 0 CA-C-O 121.472 0.653 . . . . 0.0 111.166 174.763 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.622 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.16 144.15 30.94 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.631 1.205 . . . . 0.0 113.115 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.2 131.2 34.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 0.0 111.602 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.275 0.9 OUTLIER -79.09 -58.98 2.96 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -148.79 107.73 3.87 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -134.01 113.02 11.69 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.2 p -134.17 121.24 21.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.19 0.596 . . . . 0.0 110.718 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.78 -129.75 9.5 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.283 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 CA--C 1.564 1.488 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.58 130.96 34.44 Favored 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -126.36 113.33 16.76 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.49 120.05 31.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.588 -0.695 . . . . 0.0 109.957 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -88.04 119.49 28.45 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.191 0.519 . . . . 0.0 110.174 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -101.23 122.93 44.55 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.313 0.645 . . . . 0.0 109.856 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -130.13 -60.48 1.01 Allowed 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.091 0.556 . . . . 0.0 111.365 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -134.7 125.41 26.99 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 119.435 1.016 . . . . 0.0 110.42 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.15 81.73 0.03 OUTLIER Glycine 0 N--CA 1.485 1.957 0 O-C-N 121.875 -0.516 . . . . 0.0 112.176 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -88.49 127.11 35.52 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.897 0.479 . . . . 0.0 110.841 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -89.83 -1.58 58.02 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 170.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 m -154.89 120.41 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -122.68 -77.6 0.59 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.222 -0.924 . . . . 0.0 110.332 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -136.96 83.22 1.98 Allowed 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 119.44 1.018 . . . . 0.0 108.777 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.82 120.49 6.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -80.71 76.77 7.6 Favored 'General case' 0 CA--C 1.575 1.91 0 CA-C-O 122.178 0.99 . . . . 0.0 111.945 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -169.11 139.17 2.22 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.608 1.563 . . . . 0.0 107.781 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -75.05 98.14 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.958 -1.089 . . . . 0.0 110.2 175.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -62.46 136.64 58.0 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -89.3 117.52 28.31 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.054 0.454 . . . . 0.0 109.81 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 156.41 38.86 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.281 13.4 pt-20 -75.69 63.24 1.57 Allowed 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -159.5 95.38 1.22 Allowed 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -141.01 103.86 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.45 82.76 0.12 Allowed Glycine 0 N--CA 1.484 1.898 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -174.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -99.08 143.86 28.88 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.043 0.537 . . . . 0.0 111.594 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -73.75 112.95 10.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.666 -0.646 . . . . 0.0 111.27 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -135.58 141.41 45.15 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 123.78 0.832 . . . . 0.0 109.251 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.82 -87.69 0.07 OUTLIER Glycine 0 N--CA 1.485 1.937 0 O-C-N 121.654 -0.654 . . . . 0.0 111.867 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.9 130.07 34.71 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -131.58 99.47 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 104.199 -2.519 . . . . 0.0 104.199 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 tp -82.19 140.43 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.26 -0.9 . . . . 0.0 111.82 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.66 79.93 0.06 OUTLIER Glycine 0 N--CA 1.483 1.829 0 O-C-N 121.821 -0.549 . . . . 0.0 111.862 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 34' ' ' LEU . 2.5 pt? -84.87 127.67 34.26 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.337 0.589 . . . . 0.0 112.422 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.3 ttp -91.22 111.49 22.99 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.049 0.539 . . . . 0.0 109.67 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -103.2 103.57 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.8 -82.99 0.05 OUTLIER Glycine 0 N--CA 1.484 1.884 0 O-C-N 121.913 -0.492 . . . . 0.0 112.923 -175.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.64 -77.4 1.03 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.6 105.28 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.747 177.151 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 CA--C 1.564 1.519 0 CA-C-O 120.776 0.322 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.97 130.83 34.29 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 121.685 -0.634 . . . . 0.0 112.578 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.56 113.97 26.39 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.468 0.652 . . . . 0.0 109.669 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -90.03 122.13 32.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.667 -0.646 . . . . 0.0 110.063 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -87.61 122.15 30.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.761 -0.587 . . . . 0.0 110.267 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -77.65 -50.0 13.39 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -83.17 122.34 28.26 Favored 'General case' 0 CA--C 1.567 1.63 0 CA-C-O 122.045 0.926 . . . . 0.0 111.892 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.7 m -92.35 124.28 36.29 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 111.114 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.01 81.85 1.66 Allowed Glycine 0 N--CA 1.488 2.127 0 O-C-N 121.636 -0.665 . . . . 0.0 114.198 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -138.78 114.02 9.51 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.65 85.35 2.3 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.424 1.106 . . . . 0.0 109.885 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 m -144.17 116.02 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -80.71 -55.33 4.91 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -137.45 116.81 12.74 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -132.11 106.74 8.18 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.273 23.5 pttm -96.85 64.96 2.09 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 122.545 1.164 . . . . 0.0 112.135 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -162.7 125.38 2.77 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.3 m -69.33 106.19 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.978 -1.076 . . . . 0.0 111.448 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -80.9 107.3 13.6 Favored 'General case' 0 CA--C 1.559 1.326 0 O-C-N 121.286 -0.884 . . . . 0.0 109.672 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -92.75 113.97 26.4 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.33 129.28 38.45 Favored 'General case' 0 CA--C 1.562 1.431 0 O-C-N 122.062 -0.399 . . . . 0.0 111.877 169.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.276 12.6 pt-20 -74.72 71.38 1.94 Allowed 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 123.573 1.654 . . . . 0.0 115.077 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -163.98 95.82 0.79 Allowed 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 105.574 -2.01 . . . . 0.0 105.574 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.14 142.46 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.689 -1.257 . . . . 0.0 111.786 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.39 87.45 1.89 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 121.676 -0.64 . . . . 0.0 113.26 -174.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -125.63 38.02 4.25 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -148.83 85.0 1.47 Allowed 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -145.63 139.78 26.88 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.43 -89.0 0.07 OUTLIER Glycine 0 N--CA 1.485 1.904 0 O-C-N 121.715 -0.615 . . . . 0.0 111.711 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.27 130.65 34.45 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tp -137.8 92.08 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.73 144.8 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 120.964 -1.085 . . . . 0.0 112.053 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.04 -77.33 0.05 OUTLIER Glycine 0 N--CA 1.488 2.128 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.926 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -85.93 138.44 32.01 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 122.988 0.515 . . . . 0.0 110.917 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.8 ptm -85.86 96.44 9.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.275 -0.89 . . . . 0.0 111.563 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.1 t -106.0 103.05 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.01 86.79 0.08 OUTLIER Glycine 0 N--CA 1.484 1.859 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.51 86.69 0.07 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.318 9.4 p -132.35 -68.43 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 CA-C-O 118.673 -0.679 . . . . 0.0 110.847 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 173.047 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.572 1.82 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.99 -46.13 45.65 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -114.12 78.26 1.13 Allowed 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 120.3 1.409 . . . . 0.0 112.233 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -143.29 117.31 9.44 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.25 119.77 30.84 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 121.773 -0.579 . . . . 0.0 109.752 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -126.25 112.59 15.92 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -127.22 -61.13 1.17 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 123.197 0.599 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -72.02 -35.37 69.39 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.65 -89.67 1.61 Allowed Glycine 0 N--CA 1.485 1.93 0 CA-C-N 119.35 0.977 . . . . 0.0 113.817 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -134.18 117.72 16.83 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -90.51 84.23 5.94 Favored 'General case' 0 CA--C 1.568 1.642 0 CA-C-O 121.805 0.812 . . . . 0.0 109.939 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.42 124.93 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -77.07 -51.5 10.95 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -136.88 125.02 22.98 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.97 0.804 . . . . 0.0 109.008 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -89.71 91.25 8.57 Favored 'General case' 0 CA--C 1.564 1.506 0 O-C-N 121.627 -0.67 . . . . 0.0 109.933 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -90.19 75.87 6.94 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 122.287 1.041 . . . . 0.0 110.186 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -174.26 136.55 0.49 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 126.042 1.737 . . . . 0.0 106.463 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.23 99.72 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -64.42 135.0 55.67 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.74 122.92 13.75 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.43 46.48 Favored 'General case' 0 CA--C 1.565 1.529 0 O-C-N 121.493 -0.755 . . . . 0.0 112.552 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -75.33 78.67 2.41 Favored 'General case' 0 CA--C 1.575 1.926 0 CA-C-O 123.048 1.404 . . . . 0.0 113.09 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -152.05 77.48 1.21 Allowed 'General case' 0 CA--C 1.566 1.574 0 CA-C-O 122.663 1.221 . . . . 0.0 108.347 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 p -150.47 83.29 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.676 -1.265 . . . . 0.0 107.85 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.3 45.89 64.35 Favored Glycine 0 N--CA 1.495 2.604 0 N-CA-C 119.947 2.739 . . . . 0.0 119.947 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -81.88 143.44 31.7 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 117.905 0.853 . . . . 0.0 112.596 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.73 87.73 2.21 Favored 'General case' 0 CA--C 1.571 1.75 0 CA-C-O 122.159 0.981 . . . . 0.0 111.479 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -96.16 142.76 27.96 Favored 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 123.898 0.879 . . . . 0.0 110.419 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.27 -84.4 0.05 OUTLIER Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.813 -0.555 . . . . 0.0 111.836 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.3 130.38 35.08 Favored 'General case' 0 CA--C 1.562 1.436 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 pt -140.08 124.63 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -78.69 143.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.944 -1.098 . . . . 0.0 112.294 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.61 89.92 0.14 Allowed Glycine 0 N--CA 1.485 1.934 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.8 tp -88.44 116.86 26.97 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.97 0.508 . . . . 0.0 109.951 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.7 tpt -89.73 116.44 27.84 Favored 'General case' 0 CA--C 1.562 1.414 0 O-C-N 121.919 -0.488 . . . . 0.0 109.955 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -99.36 103.11 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -87.33 0.07 OUTLIER Glycine 0 N--CA 1.484 1.882 0 CA-C-O 119.793 -0.448 . . . . 0.0 112.377 -176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -85.97 1.27 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 114.404 0.522 . . . . 0.0 114.404 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 m -86.82 118.44 32.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 CA-C-N 117.551 0.675 . . . . 0.0 110.234 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.496 1.85 0 C-N-CA 123.095 0.558 . . . . 0.0 110.329 174.173 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 CA--C 1.567 1.605 0 CA-C-O 120.794 0.33 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.24 -58.1 3.09 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -143.06 100.6 3.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -145.74 120.15 9.65 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.07 125.91 29.01 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -89.34 122.95 33.07 Favored 'General case' 0 CA--C 1.563 1.466 0 O-C-N 121.925 -0.484 . . . . 0.0 110.807 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -129.3 124.69 35.01 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 t -82.81 135.1 35.07 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 121.453 -0.779 . . . . 0.0 112.636 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.17 -84.42 0.05 OUTLIER Glycine 0 N--CA 1.485 1.964 0 O-C-N 122.007 -0.433 . . . . 0.0 112.32 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -91.12 117.08 29.32 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.065 0.459 . . . . 0.0 110.259 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.87 83.03 4.31 Favored 'General case' 0 CA--C 1.566 1.585 0 CA-C-O 121.977 0.894 . . . . 0.0 109.795 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -143.59 111.6 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.49 -58.69 3.08 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -100.48 107.8 19.6 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -84.27 132.79 34.6 Favored 'General case' 0 CA--C 1.563 1.474 0 C-N-CA 123.254 0.621 . . . . 0.0 112.277 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -90.7 74.36 6.65 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 122.337 1.065 . . . . 0.0 109.786 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.07 126.49 2.43 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 104.709 -2.33 . . . . 0.0 104.709 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.274 9.2 p -71.17 86.63 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.967 0 CA-C-O 122.343 1.068 . . . . 0.0 112.165 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -87.03 120.53 28.4 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 123.66 0.784 . . . . 0.0 109.486 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -94.07 114.77 27.0 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.04 64.99 7.92 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-O 122.34 1.067 . . . . 0.0 113.411 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -157.86 148.29 20.67 Favored 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 125.09 1.356 . . . . 0.0 109.324 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -73.05 99.13 2.68 Favored 'General case' 0 CA--C 1.57 1.727 0 O-C-N 121.038 -1.039 . . . . 0.0 111.023 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.8 t -100.73 103.8 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.22 83.11 0.09 OUTLIER Glycine 0 N--CA 1.478 1.497 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -141.58 57.36 1.51 Allowed 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.696 1.236 . . . . 0.0 112.11 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -157.25 100.67 1.85 Allowed 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 103.807 -2.664 . . . . 0.0 103.807 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -134.3 137.49 44.26 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.22 -86.78 0.06 OUTLIER Glycine 0 N--CA 1.487 2.082 0 O-C-N 121.608 -0.682 . . . . 0.0 112.015 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.87 126.44 34.06 Favored 'General case' 0 CA--C 1.563 1.463 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 tp -95.56 92.91 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 tp -83.04 132.16 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.103 -0.998 . . . . 0.0 111.199 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.41 79.23 0.05 OUTLIER Glycine 0 N--CA 1.484 1.836 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 mt -133.93 117.25 16.54 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 59.4 mtm -89.76 122.63 33.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.615 . . . . 0.0 110.21 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.08 96.66 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.86 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.484 1.893 0 O-C-N 121.531 -0.73 . . . . 0.0 111.945 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.34 86.78 0.06 OUTLIER Glycine 0 N--CA 1.485 1.931 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.32 9.3 p -133.5 -68.65 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.005 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.065 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.49 88.48 7.69 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-O 121.798 0.809 . . . . 0.0 111.418 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -99.81 108.95 21.37 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -149.29 122.29 8.81 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.299 36.7 ptt180 -122.43 -68.62 0.88 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -146.94 113.29 5.91 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.45 112.14 13.49 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.7 p -135.59 121.62 20.04 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.326 0.651 . . . . 0.0 110.16 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.85 175.63 41.67 Favored Glycine 0 CA--C 1.541 1.659 0 CA-C-O 122.82 1.234 . . . . 0.0 114.725 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -134.88 112.85 11.0 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -92.27 87.75 6.19 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 122.189 0.995 . . . . 0.0 109.483 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -139.38 104.36 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 N-CA-C 104.459 -2.423 . . . . 0.0 104.459 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -87.97 -66.15 0.94 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.772 -0.58 . . . . 0.0 112.402 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -132.76 94.59 3.42 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -143.96 90.34 2.12 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -95.56 74.81 3.25 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.916 0.865 . . . . 0.0 109.599 173.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -163.63 137.63 5.79 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.79 98.57 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.939 -1.101 . . . . 0.0 109.785 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -72.22 135.34 46.04 Favored 'General case' 0 CA--C 1.565 1.519 0 O-C-N 121.511 -0.743 . . . . 0.0 112.484 -174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -89.6 116.14 27.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.104 0.478 . . . . 0.0 109.944 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.31 155.01 37.06 Favored 'General case' 0 CA--C 1.566 1.574 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 174.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.278 13.0 pt-20 -75.59 67.9 2.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 123.563 1.649 . . . . 0.0 115.106 179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -164.61 101.77 0.81 Allowed 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.0 p -137.59 139.44 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 O-C-N 120.491 -1.381 . . . . 0.0 110.113 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 78.21 1.38 Allowed Glycine 0 N--CA 1.488 2.139 0 O-C-N 121.885 -0.509 . . . . 0.0 113.613 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -132.52 138.29 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 123.446 0.698 . . . . 0.0 109.838 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -74.33 83.97 1.92 Allowed 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 122.326 1.06 . . . . 0.0 112.913 176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -91.61 140.95 29.23 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.686 0.795 . . . . 0.0 110.668 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.27 -89.8 0.08 OUTLIER Glycine 0 N--CA 1.483 1.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.21 127.11 35.73 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.6 tp -91.2 90.42 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 CA-C-O 121.401 0.619 . . . . 0.0 109.373 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -81.62 143.93 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.263 -0.898 . . . . 0.0 111.618 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.17 87.79 0.09 OUTLIER Glycine 0 N--CA 1.482 1.753 0 O-C-N 121.489 -0.757 . . . . 0.0 111.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.14 115.45 28.02 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.1 mtm -89.92 122.24 32.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.792 -0.567 . . . . 0.0 110.063 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.38 91.09 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.75 0.786 . . . . 0.0 110.141 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.75 -84.79 1.47 Allowed Glycine 0 N--CA 1.488 2.166 0 O-C-N 121.738 -0.601 . . . . 0.0 113.109 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.93 85.09 0.08 OUTLIER Glycine 0 N--CA 1.482 1.708 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -90.63 111.47 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.101 174.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.7 132.01 34.89 Favored 'General case' 0 CA--C 1.56 1.36 0 CA-C-N 119.89 1.223 . . . . 0.0 113.046 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -130.51 112.5 13.26 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -133.92 119.48 19.15 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -91.51 112.23 24.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.807 -0.558 . . . . 0.0 109.596 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -90.28 119.92 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.878 0.471 . . . . 0.0 110.197 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -122.6 -63.44 1.28 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 123.227 0.611 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m -84.76 130.25 34.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.2 -0.937 . . . . 0.0 112.157 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.74 -107.26 1.37 Allowed Glycine 0 N--CA 1.488 2.125 0 O-C-N 121.863 -0.523 . . . . 0.0 113.641 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -90.58 93.53 9.32 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 121.971 0.891 . . . . 0.0 111.137 176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -98.81 89.69 4.42 Favored 'General case' 0 CA--C 1.563 1.45 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.33 149.7 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-O 122.023 0.916 . . . . 0.0 109.82 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -67.5 160.52 27.43 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.027 -1.046 . . . . 0.0 113.736 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -52.79 101.9 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -130.89 100.37 5.23 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -87.08 69.96 10.2 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-O 122.397 1.094 . . . . 0.0 110.323 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 tp -165.45 136.85 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -76.19 86.35 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.984 -1.072 . . . . 0.0 110.684 171.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -82.85 130.24 35.11 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.537 -0.727 . . . . 0.0 111.255 -175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -134.66 112.57 10.91 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.51 65.91 8.65 Favored 'General case' 0 CA--C 1.57 1.742 0 CA-C-O 122.198 0.999 . . . . 0.0 113.343 172.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.41 147.79 20.97 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.908 1.283 . . . . 0.0 109.393 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.05 95.03 1.16 Allowed 'General case' 0 CA--C 1.57 1.747 0 CA-C-O 122.745 1.26 . . . . 0.0 112.974 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.1 t -98.87 105.16 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -144.5 85.84 0.18 Allowed Glycine 0 N--CA 1.484 1.849 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -86.89 144.2 27.09 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -75.39 90.1 2.66 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-O 121.923 0.868 . . . . 0.0 110.791 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -88.34 142.95 27.32 Favored 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 123.662 0.785 . . . . 0.0 110.964 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.79 -82.45 0.04 OUTLIER Glycine 0 N--CA 1.486 1.984 0 O-C-N 121.856 -0.527 . . . . 0.0 112.115 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.09 133.46 35.48 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 tt -82.3 143.39 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.94 0 O-C-N 121.6 -0.688 . . . . 0.0 112.546 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.9 tp -77.18 144.04 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.25 -0.906 . . . . 0.0 112.694 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.64 -79.41 1.11 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 115.231 0.852 . . . . 0.0 115.231 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.6 mt -86.6 123.38 31.72 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 117.286 0.543 . . . . 0.0 110.487 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 ttt -93.04 116.96 29.54 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 123.169 0.588 . . . . 0.0 109.953 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.2 p -88.36 110.92 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.619 -0.676 . . . . 0.0 110.11 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.24 -88.55 0.07 OUTLIER Glycine 0 N--CA 1.485 1.922 0 O-C-N 121.734 -0.604 . . . . 0.0 112.228 -176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.45 179.24 46.78 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 115.128 0.811 . . . . 0.0 115.128 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.267 19.0 m -80.57 -61.42 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 176.411 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 CA--C 1.568 1.649 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.31 96.6 10.78 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-N 119.667 1.122 . . . . 0.0 111.3 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.48 81.69 5.94 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 122.486 1.136 . . . . 0.0 110.812 177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -145.43 118.91 9.05 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.16 121.27 29.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.752 -0.593 . . . . 0.0 110.145 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -92.8 125.95 37.65 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.212 0.605 . . . . 0.0 110.362 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.93 120.58 28.35 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-O 121.454 0.645 . . . . 0.0 110.494 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.3 p -123.5 130.72 53.11 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.356 0.662 . . . . 0.0 111.284 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.79 -78.11 1.3 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -77.19 124.87 28.44 Favored 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.41 77.87 3.89 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.989 0.9 . . . . 0.0 110.318 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 m -147.11 108.07 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -82.77 -57.0 3.5 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 113.226 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -139.97 129.55 24.32 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 119.362 0.983 . . . . 0.0 109.711 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -84.24 130.95 34.79 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.439 -0.788 . . . . 0.0 111.173 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -84.89 69.24 10.73 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 122.512 1.148 . . . . 0.0 111.279 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp 177.69 147.23 0.13 Allowed 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 126.829 2.051 . . . . 0.0 107.008 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 m -69.01 94.17 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 120.131 -1.606 . . . . 0.0 111.722 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -93.16 94.78 9.01 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.8 101.28 5.21 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 67.46 5.41 Favored 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 122.14 0.971 . . . . 0.0 112.789 173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -156.79 131.4 8.77 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 124.746 1.218 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -90.67 106.08 18.26 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.14 140.35 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 CA-C-O 122.44 1.114 . . . . 0.0 110.106 -177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.43 81.67 0.08 OUTLIER Glycine 0 N--CA 1.48 1.58 0 O-C-N 121.436 -0.79 . . . . 0.0 112.296 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -145.36 75.11 1.42 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 122.468 1.128 . . . . 0.0 109.737 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -163.54 -46.78 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.756 1.223 . . . . 0.0 110.487 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -68.84 140.57 55.23 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.08 -90.29 0.11 Allowed Glycine 0 N--CA 1.486 1.992 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.17 133.16 34.21 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.4 tt -126.92 108.36 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -80.72 137.13 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.13 -0.982 . . . . 0.0 111.761 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.06 84.13 0.31 Allowed Glycine 0 N--CA 1.486 2.024 0 O-C-N 121.968 -0.457 . . . . 0.0 112.121 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.7 tp -89.55 113.24 24.63 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 122.938 0.495 . . . . 0.0 109.689 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -133.95 116.04 15.1 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.7 t -101.25 101.38 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.67 -86.32 1.31 Allowed Glycine 0 N--CA 1.487 2.084 0 O-C-N 122.161 -0.337 . . . . 0.0 113.289 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.55 84.5 0.06 OUTLIER Glycine 0 N--CA 1.483 1.798 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.8 t -136.48 102.1 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 118.148 -0.929 . . . . 0.0 109.693 -179.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 -48.61 17.86 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -91.97 113.68 26.02 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 118.928 0.786 . . . . 0.0 110.025 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -91.32 121.8 33.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.638 -0.664 . . . . 0.0 110.022 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -82.17 136.91 35.06 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.592 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -95.91 109.98 22.25 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.8 -48.58 13.33 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.8 t -78.81 131.6 36.56 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 119.476 1.034 . . . . 0.0 113.299 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.44 -86.11 0.07 OUTLIER Glycine 0 N--CA 1.485 1.951 0 O-C-N 121.303 -0.873 . . . . 0.0 112.117 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -87.09 95.01 9.8 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-O 121.472 0.653 . . . . 0.0 111.166 174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -123.49 95.55 4.63 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.05 121.83 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -80.2 -59.36 2.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.331 -0.856 . . . . 0.0 113.245 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -94.45 117.9 30.83 Favored 'General case' 0 CA--C 1.564 1.494 0 CA-C-N 118.936 0.789 . . . . 0.0 110.172 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.56 120.76 17.87 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.506 0.722 . . . . 0.0 109.497 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -83.76 81.19 8.87 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.045 -1.034 . . . . 0.0 110.388 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -164.16 140.26 6.32 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 125.349 1.459 . . . . 0.0 107.393 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.283 9.2 p -78.5 87.19 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.657 -1.277 . . . . 0.0 110.959 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -71.6 103.88 3.15 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 123.832 0.853 . . . . 0.0 112.321 -176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -98.04 115.41 28.16 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 126.98 31.24 Favored 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.251 13.1 pt-20 -74.33 73.32 1.84 Allowed 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -174.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -150.5 99.12 2.73 Favored 'General case' 0 CA--C 1.56 1.365 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -140.97 131.89 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.0 108.637 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.87 -118.02 1.33 Allowed Glycine 0 N--CA 1.486 2.021 0 O-C-N 121.768 -0.583 . . . . 0.0 113.448 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.4 t -129.09 137.83 51.48 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.138 0.575 . . . . 0.0 110.26 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -74.17 83.36 1.83 Allowed 'General case' 0 CA--C 1.57 1.736 0 CA-C-O 122.14 0.971 . . . . 0.0 112.94 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -99.16 141.01 32.48 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 123.783 0.833 . . . . 0.0 112.014 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.35 -85.79 0.39 Allowed Glycine 0 N--CA 1.487 2.091 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.83 130.65 34.64 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 pt -138.29 117.14 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -83.43 147.48 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 120.962 -1.086 . . . . 0.0 111.882 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.58 -74.7 1.03 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 tp -84.3 127.3 33.88 Favored 'General case' 0 CA--C 1.567 1.607 0 CA-C-O 121.154 0.502 . . . . 0.0 111.136 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -88.47 112.34 22.85 Favored 'General case' 0 CA--C 1.564 1.515 0 O-C-N 121.833 -0.542 . . . . 0.0 109.923 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.55 113.47 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.696 -0.628 . . . . 0.0 109.68 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.85 -81.2 1.19 Allowed Glycine 0 N--CA 1.489 2.208 0 O-C-N 121.79 -0.569 . . . . 0.0 114.115 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.67 85.27 0.11 Allowed Glycine 0 N--CA 1.483 1.822 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.37 -83.42 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 172.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 CA--C 1.565 1.52 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 -45.73 27.15 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -82.16 144.15 30.94 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.631 1.205 . . . . 0.0 113.115 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.2 131.2 34.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 0.0 111.602 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.275 0.9 OUTLIER -79.09 -58.98 2.96 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -148.79 107.73 3.87 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -134.01 113.02 11.69 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.2 p -134.17 121.24 21.13 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.19 0.596 . . . . 0.0 110.718 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.78 -129.75 9.5 Favored Glycine 0 N--CA 1.485 1.92 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -138.93 123.8 18.77 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.251 13.4 pt-20 -83.18 83.58 7.8 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 122.476 1.131 . . . . 0.0 111.935 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -86.87 112.57 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.215 -0.928 . . . . 0.0 109.964 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -79.39 -53.39 6.96 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -130.07 123.67 31.02 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.782 0.833 . . . . 0.0 109.021 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -136.86 131.51 33.3 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.7 0.8 . . . . 0.0 108.853 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -83.2 71.29 10.2 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 122.585 1.183 . . . . 0.0 111.145 170.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp 178.78 140.04 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.238 2.215 . . . . 0.0 105.542 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -74.97 105.06 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.133 -1.604 . . . . 0.0 108.911 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -65.0 136.99 57.44 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -95.71 115.0 26.8 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 78.19 9.76 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-O 121.906 0.86 . . . . 0.0 112.045 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.3 141.44 26.1 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.093 0.957 . . . . 0.0 110.257 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -77.72 99.01 5.68 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-O 122.628 1.204 . . . . 0.0 112.153 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.4 t -103.78 98.46 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.29 -41.44 2.47 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -171.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -78.28 65.15 3.56 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 119.278 1.539 . . . . 0.0 114.776 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -169.38 -46.47 0.02 OUTLIER 'General case' 0 CA--C 1.572 1.819 0 C-N-CA 126.052 1.741 . . . . 0.0 110.444 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.16 149.17 45.97 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.57 -88.21 0.07 OUTLIER Glycine 0 N--CA 1.485 1.937 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.115 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.88 132.54 34.78 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.36 136.23 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.626 -0.671 . . . . 0.0 111.952 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.27 139.84 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.496 -0.753 . . . . 0.0 111.839 177.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.81 69.89 2.98 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 115.516 0.966 . . . . 0.0 115.516 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.68 113.07 24.81 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.561 0.744 . . . . 0.0 109.19 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.4 mmt -88.27 117.32 27.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.818 -0.551 . . . . 0.0 109.993 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.96 102.66 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -85.87 1.27 Allowed Glycine 0 N--CA 1.488 2.139 0 O-C-N 121.934 -0.479 . . . . 0.0 113.348 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.67 85.92 0.06 OUTLIER Glycine 0 N--CA 1.482 1.712 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.76 93.67 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.496 1.832 0 C-N-CA 123.136 0.575 . . . . 0.0 109.921 177.135 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_