data_2m9r_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 2m9r _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 ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.914 0 N-CA-C 112.242 -0.343 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -131.09 116.84 18.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -127.12 88.21 2.77 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.307 1.051 . . . . 0.0 109.473 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.95 110.44 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -86.97 -62.5 1.49 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.86 . . . . 0.0 112.513 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -92.7 119.34 31.99 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.07 0.85 . . . . 0.0 110.265 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.19 124.42 34.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -84.73 64.25 8.44 Favored 'General case' 0 CA--C 1.579 2.088 0 O-C-N 120.956 -1.09 . . . . 0.0 112.314 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.68 153.52 2.27 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 126.418 1.887 . . . . 0.0 107.854 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -70.08 92.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.082 -1.636 . . . . 0.0 111.213 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -86.82 91.39 8.63 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.54 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -92.85 108.95 20.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.38 66.83 8.15 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-O 122.219 1.009 . . . . 0.0 112.909 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 CA--C 1.565 1.554 0 C-N-CA 124.974 1.309 . . . . 0.0 109.532 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 113.983 0.353 . . . . 0.0 113.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -87.62 90.2 8.28 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.116 0.96 . . . . 0.0 111.1 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.04 91.93 5.02 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.68 95.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -80.3 -52.25 7.93 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -87.04 118.33 26.35 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 119.133 0.879 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -89.66 89.33 7.75 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 121.523 0.677 . . . . 0.0 109.951 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -96.37 75.72 2.93 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 122.173 0.987 . . . . 0.0 109.724 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -173.11 140.94 0.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.665 1.586 . . . . 0.0 107.294 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.281 10.0 p -78.12 90.14 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 120.667 -1.271 . . . . 0.0 110.805 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -78.72 136.53 37.44 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.531 0.681 . . . . 0.0 111.582 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.55 116.42 26.78 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.78 61.21 5.04 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 CA--C 1.566 1.571 0 C-N-CA 125.103 1.361 . . . . 0.0 108.538 179.541 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.46 104.11 16.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -135.72 92.58 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.08 108.99 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -84.59 -54.13 4.94 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.37 122.66 32.12 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 119.302 0.955 . . . . 0.0 110.649 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.97 136.8 32.8 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 121.989 0.899 . . . . 0.0 111.305 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -105.41 108.95 20.74 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 171.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 96.74 0.08 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 123.096 1.426 . . . . 0.0 113.744 -164.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.43 96.36 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 N-CA-C 102.019 -3.326 . . . . 0.0 102.019 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.79 124.06 25.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.981 -1.074 . . . . 0.0 111.384 -171.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.65 116.36 30.71 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.15 152.52 42.24 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.578 2.053 0 CA-C-O 122.764 1.268 . . . . 0.0 113.792 178.528 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.7 113.54 9.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.91 86.56 2.52 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.51 102.42 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.19 -54.71 5.5 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -98.76 121.9 41.3 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.924 0.784 . . . . 0.0 110.041 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.2 89.23 6.8 Favored 'General case' 0 CA--C 1.566 1.57 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -94.3 78.32 3.94 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.111 0.957 . . . . 0.0 110.087 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -169.6 137.98 1.84 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.132 1.373 . . . . 0.0 107.728 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.31 90.72 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.841 -1.162 . . . . 0.0 110.526 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -63.26 133.83 54.86 Favored 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -138.84 116.0 11.03 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.57 75.12 7.55 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 111.733 172.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.489 1.52 0 C-N-CA 123.738 0.815 . . . . 0.0 110.438 -179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -89.7 92.33 9.02 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.794 0.806 . . . . 0.0 111.214 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -126.97 92.14 3.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.94 113.88 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -80.3 -50.7 9.83 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.82 126.81 29.58 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 118.982 0.81 . . . . 0.0 109.15 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.06 130.45 35.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.401 -0.812 . . . . 0.0 111.606 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.278 20.3 pttp -86.8 58.95 5.36 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.661 1.219 . . . . 0.0 113.38 167.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.81 145.21 0.22 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 127.136 2.174 . . . . 0.0 106.61 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -69.44 126.67 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.094 -1.628 . . . . 0.0 111.422 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -66.91 117.25 8.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.486 -0.759 . . . . 0.0 111.507 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -92.84 112.92 25.05 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 117.76 19.23 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 122.153 -0.342 . . . . 0.0 110.635 169.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 122.325 1.059 . . . . 0.0 113.05 -175.649 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -89.55 116.77 27.95 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -134.89 93.88 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -137.99 112.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -81.7 -57.09 3.6 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -87.4 115.61 24.94 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 119.01 0.823 . . . . 0.0 110.684 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -86.72 135.14 33.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.936 -0.477 . . . . 0.0 110.945 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -80.94 72.2 7.94 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 123.0 1.381 . . . . 0.0 111.589 170.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -178.96 152.35 0.57 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 127.673 2.389 . . . . 0.0 105.871 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 m -59.6 104.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 119.829 -1.794 . . . . 0.0 112.79 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.65 126.93 31.83 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.339 0.655 . . . . 0.0 110.831 -174.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.44 114.56 26.98 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 154.37 36.22 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.283 13.1 pt-20 . . . . . 0 N--CA 1.499 2.01 0 CA-C-O 123.707 1.717 . . . . 0.0 115.304 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -94.48 119.93 33.94 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.743 0.417 . . . . 0.0 110.115 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -121.8 86.04 2.51 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 114.1 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.64 -54.48 5.84 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -87.14 126.88 35.07 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.979 0.809 . . . . 0.0 111.3 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -87.56 94.92 9.86 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.295 0.638 . . . . 0.0 109.956 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 69.25 5.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 122.188 0.994 . . . . 0.0 109.761 174.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tt -165.41 124.19 1.68 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.69 108.49 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.243 -0.91 . . . . 0.0 111.569 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -72.65 115.57 12.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.571 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -89.08 116.16 27.15 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.46 129.28 38.4 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 122.027 -0.421 . . . . 0.0 111.746 169.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 122.918 1.342 . . . . 0.0 112.96 -177.516 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -92.86 110.25 21.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.04 89.74 2.56 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 122.472 1.129 . . . . 0.0 109.018 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.22 103.75 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -83.45 -57.71 3.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -95.11 111.05 22.92 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.856 0.753 . . . . 0.0 109.145 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -93.3 94.43 8.75 Favored 'General case' 0 CA--C 1.563 1.443 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -92.7 75.66 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.499 1.142 . . . . 0.0 109.615 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -170.49 131.77 0.94 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.72 95.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -75.12 139.06 42.48 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 121.457 0.646 . . . . 0.0 112.101 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -86.8 116.83 25.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.798 -0.564 . . . . 0.0 110.22 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.31 152.88 41.83 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 122.393 1.092 . . . . 0.0 112.481 178.267 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.718 -0.153 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -83.47 89.81 7.11 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.613 0.721 . . . . 0.0 111.483 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.59 86.63 2.44 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.286 1.041 . . . . 0.0 110.3 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.42 106.57 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -84.67 -55.3 4.18 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.129 -0.982 . . . . 0.0 113.242 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.04 126.51 34.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 119.116 0.871 . . . . 0.0 111.104 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -91.59 92.9 8.69 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -92.63 70.54 4.91 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.37 1.081 . . . . 0.0 110.064 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.42 126.33 2.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 95.81 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 O-C-N 121.366 -0.834 . . . . 0.0 112.013 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -78.87 112.01 15.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.548 -0.72 . . . . 0.0 109.915 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -88.34 112.5 22.92 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.381 0.61 . . . . 0.0 110.289 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.36 67.68 9.55 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 121.999 0.904 . . . . 0.0 112.017 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 124.331 1.052 . . . . 0.0 109.753 -179.689 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 CA-C-O 122.673 1.152 . . . . 0.0 114.596 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -93.33 114.8 27.33 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.753 -0.724 . . . . 0.0 109.829 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.3 90.22 3.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -131.44 94.36 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -77.55 -52.74 8.56 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -88.91 123.41 33.24 Favored 'General case' 0 CA--C 1.564 1.508 0 C-N-CA 123.364 0.666 . . . . 0.0 110.209 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -82.93 122.94 28.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.844 -0.535 . . . . 0.0 110.86 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -86.89 66.04 9.26 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-O 122.583 1.182 . . . . 0.0 111.676 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.71 146.27 0.25 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.099 2.16 . . . . 0.0 106.541 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -63.77 100.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.355 -1.465 . . . . 0.0 112.363 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -72.13 134.91 46.01 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -174.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -138.96 118.4 12.87 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.43 79.02 9.71 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-O 121.863 0.839 . . . . 0.0 111.968 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 124.11 0.964 . . . . 0.0 110.141 179.56 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -126.19 105.7 9.02 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -134.65 92.0 2.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.92 102.85 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -87.03 -57.34 3.0 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -90.97 125.2 35.71 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.889 0.768 . . . . 0.0 110.845 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.4 115.62 27.71 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -89.97 69.43 7.42 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-O 122.291 1.044 . . . . 0.0 111.004 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.25 145.07 0.24 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 126.551 1.94 . . . . 0.0 107.027 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.263 10.8 p -70.9 91.83 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.68 -1.262 . . . . 0.0 111.676 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -81.23 123.86 28.82 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.406 0.683 . . . . 0.0 110.446 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.4 117.19 29.74 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 68.5 6.75 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 122.446 1.117 . . . . 0.0 113.438 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.565 1.536 0 C-N-CA 125.061 1.344 . . . . 0.0 109.02 178.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 113.516 0.167 . . . . 0.0 113.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -89.62 112.57 23.84 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 122.792 0.437 . . . . 0.0 111.356 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.7 84.16 2.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.202 1.001 . . . . 0.0 109.851 176.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -146.57 115.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -82.73 -60.29 2.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -0.896 . . . . 0.0 113.11 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -85.39 121.64 28.4 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 119.255 0.934 . . . . 0.0 111.864 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.11 90.74 7.48 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.498 -0.752 . . . . 0.0 109.548 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -97.96 71.82 2.19 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.201 1.001 . . . . 0.0 109.676 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -162.72 127.39 3.13 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.34 105.11 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.039 -1.038 . . . . 0.0 112.113 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -73.73 135.18 43.6 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 121.499 -0.751 . . . . 0.0 111.958 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -88.8 116.91 27.42 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.195 0.522 . . . . 0.0 109.978 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.45 157.25 37.21 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.28 12.4 pt-20 . . . . . 0 CA--C 1.579 2.07 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.564 1.518 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.3 130.33 34.55 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -92.24 114.95 27.64 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.455 0.645 . . . . 0.0 109.728 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -90.15 119.77 30.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.581 -0.699 . . . . 0.0 109.875 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -131.66 140.96 49.48 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.239 0.615 . . . . 0.0 111.37 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -121.66 115.46 22.77 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -133.25 -55.01 0.91 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.116 0.566 . . . . 0.0 111.926 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.7 p -126.48 128.72 47.38 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.583 1.083 . . . . 0.0 111.389 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.82 -85.19 0.06 OUTLIER Glycine 0 N--CA 1.485 1.914 0 O-C-N 122.011 -0.431 . . . . 0.0 112.242 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -131.09 116.84 18.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -127.12 88.21 2.77 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.307 1.051 . . . . 0.0 109.473 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.95 110.44 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -86.97 -62.5 1.49 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.86 . . . . 0.0 112.513 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -92.7 119.34 31.99 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.07 0.85 . . . . 0.0 110.265 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.19 124.42 34.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -84.73 64.25 8.44 Favored 'General case' 0 CA--C 1.579 2.088 0 O-C-N 120.956 -1.09 . . . . 0.0 112.314 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.68 153.52 2.27 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 126.418 1.887 . . . . 0.0 107.854 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -70.08 92.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.082 -1.636 . . . . 0.0 111.213 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -86.82 91.39 8.63 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.54 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -92.85 108.95 20.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.38 66.83 8.15 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-O 122.219 1.009 . . . . 0.0 112.909 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.53 146.15 19.44 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.974 1.309 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -76.27 102.79 5.99 Favored 'General case' 0 CA--C 1.566 1.566 0 O-C-N 121.18 -0.95 . . . . 0.0 110.734 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -85.73 125.23 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 CA-C-O 121.659 0.742 . . . . 0.0 110.982 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.23 111.78 0.31 Allowed Glycine 0 N--CA 1.482 1.71 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.7 p -82.26 132.88 35.23 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -80.99 90.15 5.95 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 121.611 0.72 . . . . 0.0 111.492 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -81.89 -51.98 7.55 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 -86.25 1.5 Allowed Glycine 0 N--CA 1.489 2.2 0 CA-C-N 119.698 1.136 . . . . 0.0 113.617 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.33 133.45 35.23 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -126.18 142.86 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 123.552 0.741 . . . . 0.0 110.683 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tp -76.91 140.08 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.181 -0.949 . . . . 0.0 112.593 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.09 80.82 0.05 OUTLIER Glycine 0 N--CA 1.483 1.823 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 tp -89.57 112.28 23.44 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.3 ptp -132.61 99.97 4.81 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.04 94.34 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.95 -88.97 1.56 Allowed Glycine 0 N--CA 1.488 2.14 0 O-C-N 121.723 -0.611 . . . . 0.0 113.07 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.66 -91.98 2.2 Favored Glycine 0 N--CA 1.489 2.184 0 CA-C-N 116.867 0.334 . . . . 0.0 113.112 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.33 115.22 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.494 1.731 0 C-N-CA 123.319 0.648 . . . . 0.0 110.006 177.07 . . . . . . . . 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 . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.85 130.51 34.92 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 120.028 1.285 . . . . 0.0 112.987 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -131.86 113.44 13.48 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -132.68 115.77 15.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -90.18 127.5 36.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.623 -0.673 . . . . 0.0 110.461 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -68.45 -41.0 80.89 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -80.72 -48.87 11.94 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 m -70.29 -32.07 69.69 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.33 86.68 1.5 Allowed Glycine 0 N--CA 1.485 1.953 0 CA-C-N 119.735 1.152 . . . . 0.0 113.983 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -87.62 90.2 8.28 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.116 0.96 . . . . 0.0 111.1 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.04 91.93 5.02 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.68 95.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -80.3 -52.25 7.93 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -87.04 118.33 26.35 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 119.133 0.879 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -89.66 89.33 7.75 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 121.523 0.677 . . . . 0.0 109.951 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -96.37 75.72 2.93 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 122.173 0.987 . . . . 0.0 109.724 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -173.11 140.94 0.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.665 1.586 . . . . 0.0 107.294 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.281 10.0 p -78.12 90.14 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 120.667 -1.271 . . . . 0.0 110.805 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -78.72 136.53 37.44 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.531 0.681 . . . . 0.0 111.582 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.55 116.42 26.78 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.78 61.21 5.04 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -139.18 150.01 45.08 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 125.103 1.361 . . . . 0.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.73 87.83 1.72 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.769 -1.207 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.92 111.91 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 123.959 0.904 . . . . 0.0 108.679 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.96 -82.73 1.17 Allowed Glycine 0 N--CA 1.487 2.095 0 O-C-N 121.689 -0.632 . . . . 0.0 113.753 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -86.04 135.12 33.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -77.85 101.77 6.93 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 121.588 -0.695 . . . . 0.0 111.878 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -134.13 140.61 46.7 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.5 76.55 0.27 Allowed Glycine 0 N--CA 1.486 1.981 0 CA-C-N 116.218 -0.447 . . . . 0.0 112.279 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.84 131.02 34.39 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.62 97.0 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.282 2.7 pp -138.2 -40.64 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.96 79.9 0.06 OUTLIER Glycine 0 N--CA 1.486 2.024 0 CA-C-N 119.603 1.092 . . . . 0.0 112.161 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 tp -128.4 113.04 15.06 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.64 122.98 31.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.638 -0.664 . . . . 0.0 110.455 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -89.45 94.79 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-O 121.785 0.802 . . . . 0.0 110.014 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.42 87.25 0.08 OUTLIER Glycine 0 N--CA 1.485 1.918 0 O-C-N 121.703 -0.623 . . . . 0.0 112.245 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.3 -91.46 1.71 Allowed Glycine 0 N--CA 1.486 2.014 0 CA-C-N 116.798 0.299 . . . . 0.0 113.513 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -130.04 -81.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 173.288 . . . . . . . . 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 . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.556 1.207 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.59 131.27 34.38 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -125.93 113.09 16.72 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -90.3 122.42 33.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.596 -0.69 . . . . 0.0 109.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -126.15 117.01 22.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -86.3 114.5 23.15 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 121.789 -0.569 . . . . 0.0 111.382 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.46 -66.59 0.87 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.202 0.601 . . . . 0.0 110.45 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.2 p -133.96 122.69 23.44 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.726 0.811 . . . . 0.0 110.382 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.54 86.91 0.06 OUTLIER Glycine 0 N--CA 1.484 1.889 0 O-C-N 121.438 -0.789 . . . . 0.0 111.711 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.46 104.11 16.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -135.72 92.58 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.08 108.99 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -84.59 -54.13 4.94 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.37 122.66 32.12 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 119.302 0.955 . . . . 0.0 110.649 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.97 136.8 32.8 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 121.989 0.899 . . . . 0.0 111.305 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -105.41 108.95 20.74 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 171.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 96.74 0.08 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 123.096 1.426 . . . . 0.0 113.744 -164.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.43 96.36 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 N-CA-C 102.019 -3.326 . . . . 0.0 102.019 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.79 124.06 25.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.981 -1.074 . . . . 0.0 111.384 -171.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.65 116.36 30.71 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.15 152.52 42.24 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.87 67.43 2.26 Favored 'General case' 0 CA--C 1.578 2.053 0 CA-C-O 122.764 1.268 . . . . 0.0 113.792 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -170.46 96.69 0.25 Allowed 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -142.73 134.15 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 78.81 1.43 Allowed Glycine 0 N--CA 1.487 2.074 0 O-C-N 121.695 -0.628 . . . . 0.0 113.171 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -130.97 67.9 1.5 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.337 1.065 . . . . 0.0 111.009 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -168.43 -50.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.012 1.325 . . . . 0.0 110.482 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -70.71 148.89 47.52 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.85 -93.7 0.1 OUTLIER Glycine 0 N--CA 1.485 1.963 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.79 130.52 41.93 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.379 0.671 . . . . 0.0 110.834 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -106.64 94.83 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.261 7.3 pt -140.75 -57.22 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 C-N-CA 123.609 0.764 . . . . 0.0 111.707 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.17 -88.18 0.07 OUTLIER Glycine 0 N--CA 1.485 1.956 0 CA-C-N 119.476 1.034 . . . . 0.0 112.342 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.33 138.29 32.97 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-O 121.289 0.566 . . . . 0.0 111.184 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -91.88 115.75 28.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.499 -0.75 . . . . 0.0 109.987 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.3 98.17 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.785 0.802 . . . . 0.0 109.775 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.19 86.82 0.08 OUTLIER Glycine 0 N--CA 1.485 1.911 0 O-C-N 121.641 -0.662 . . . . 0.0 112.031 -174.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.83 87.54 0.09 OUTLIER Glycine 0 N--CA 1.483 1.801 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.303 8.6 p -133.26 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.514 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.492 1.669 0 CA-C-N 119.507 1.048 . . . . 0.0 110.021 173.856 . . . . . . . . 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 . . . . . . . . . . . . . 12.4 t70 . . . . . 0 CA--C 1.571 1.765 0 CA-C-O 118.441 -0.79 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.09 -52.01 1.87 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -85.12 133.53 34.21 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-N 119.639 1.109 . . . . 0.0 111.541 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -89.5 123.69 33.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.741 -0.599 . . . . 0.0 110.379 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -125.49 115.8 20.8 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -86.72 120.35 27.93 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 122.994 0.518 . . . . 0.0 111.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -90.66 118.0 29.75 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.398 1.094 . . . . 0.0 111.009 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -88.19 124.96 34.35 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.225 -0.922 . . . . 0.0 112.291 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.21 -97.49 0.15 Allowed Glycine 0 N--CA 1.481 1.678 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.7 113.54 9.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.91 86.56 2.52 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.51 102.42 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.19 -54.71 5.5 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -98.76 121.9 41.3 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.924 0.784 . . . . 0.0 110.041 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.2 89.23 6.8 Favored 'General case' 0 CA--C 1.566 1.57 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -94.3 78.32 3.94 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.111 0.957 . . . . 0.0 110.087 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -169.6 137.98 1.84 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.132 1.373 . . . . 0.0 107.728 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.31 90.72 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.841 -1.162 . . . . 0.0 110.526 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -63.26 133.83 54.86 Favored 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -138.84 116.0 11.03 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.57 75.12 7.55 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 111.733 172.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -99.19 138.1 36.77 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.738 0.815 . . . . 0.0 110.438 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.83 95.22 8.39 Favored 'General case' 0 CA--C 1.568 1.653 0 CA-C-O 122.027 0.918 . . . . 0.0 109.534 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.51 113.2 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.22 64.95 4.17 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 114.999 0.76 . . . . 0.0 114.999 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -84.87 139.46 31.86 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.518 0.727 . . . . 0.0 111.435 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -72.48 82.44 1.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 122.245 1.021 . . . . 0.0 112.958 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -86.68 -51.62 6.02 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.467 0.707 . . . . 0.0 112.818 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.27 -87.25 1.45 Allowed Glycine 0 N--CA 1.487 2.072 0 CA-C-N 119.36 0.982 . . . . 0.0 113.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 129.68 35.0 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mt -132.23 97.45 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 pt -141.91 123.41 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.67 78.92 1.78 Allowed Glycine 0 N--CA 1.489 2.189 0 O-C-N 121.01 -1.056 . . . . 0.0 114.163 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -127.82 110.57 12.72 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.0 ttm -127.17 111.44 13.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.6 94.38 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.551 -0.718 . . . . 0.0 110.011 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.12 85.62 1.2 Allowed Glycine 0 N--CA 1.489 2.181 0 O-C-N 121.766 -0.584 . . . . 0.0 114.022 -172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.78 -87.38 1.47 Allowed Glycine 0 N--CA 1.49 2.262 0 CA-C-N 117.225 0.512 . . . . 0.0 113.814 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.8 t -105.03 99.69 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 104.154 -2.536 . . . . 0.0 104.154 179.041 . . . . . . . . 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 . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.6 -46.88 20.81 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.17 143.64 30.36 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.675 1.226 . . . . 0.0 112.849 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.86 126.15 33.22 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.932 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -127.91 115.52 18.69 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -90.34 122.4 33.19 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.09 0.556 . . . . 0.0 109.974 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.14 -54.59 6.08 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -86.09 132.38 34.05 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.649 0.738 . . . . 0.0 111.96 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.46 -90.44 0.08 OUTLIER Glycine 0 N--CA 1.483 1.832 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -89.7 92.33 9.02 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.794 0.806 . . . . 0.0 111.214 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -126.97 92.14 3.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.94 113.88 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -80.3 -50.7 9.83 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.82 126.81 29.58 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 118.982 0.81 . . . . 0.0 109.15 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.06 130.45 35.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.401 -0.812 . . . . 0.0 111.606 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.278 20.3 pttp -86.8 58.95 5.36 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.661 1.219 . . . . 0.0 113.38 167.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.81 145.21 0.22 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 127.136 2.174 . . . . 0.0 106.61 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -69.44 126.67 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.094 -1.628 . . . . 0.0 111.422 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -66.91 117.25 8.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.486 -0.759 . . . . 0.0 111.507 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -92.84 112.92 25.05 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 117.76 19.23 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 122.153 -0.342 . . . . 0.0 110.635 169.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -72.44 87.79 1.19 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.325 1.059 . . . . 0.0 113.05 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -153.62 92.62 1.59 Allowed 'General case' 0 CA--C 1.562 1.416 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.31 97.32 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.34 -90.98 1.69 Allowed Glycine 0 N--CA 1.488 2.123 0 O-C-N 121.483 -0.761 . . . . 0.0 114.164 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.0 p -87.42 133.24 33.76 Favored 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -86.35 93.6 9.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.504 -0.748 . . . . 0.0 109.458 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -85.59 -62.51 1.51 Allowed 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.055 0.542 . . . . 0.0 111.996 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.53 -89.59 1.41 Allowed Glycine 0 N--CA 1.488 2.161 0 CA-C-N 119.507 1.049 . . . . 0.0 114.004 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.38 134.68 33.7 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.278 7.3 tt -84.41 85.99 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.349 -0.844 . . . . 0.0 110.685 175.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 pt -87.1 129.35 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.359 -0.838 . . . . 0.0 110.423 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.76 79.9 1.79 Allowed Glycine 0 N--CA 1.487 2.046 0 O-C-N 121.408 -0.807 . . . . 0.0 113.979 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -90.55 116.07 28.17 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.128 0.571 . . . . 0.0 109.896 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mmm -133.16 120.96 21.88 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.91 93.43 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.91 0.862 . . . . 0.0 110.153 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.65 85.53 0.07 OUTLIER Glycine 0 N--CA 1.484 1.898 0 O-C-N 121.611 -0.68 . . . . 0.0 112.227 -174.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.24 85.78 0.06 OUTLIER Glycine 0 N--CA 1.483 1.786 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.24 90.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.638 0.732 . . . . 0.0 109.677 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 179.225 . . . . . . . . 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 . . . . . . . . . . . . . 15.3 t70 . . . . . 0 CA--C 1.568 1.637 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.31 124.08 32.28 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.704 1.138 . . . . 0.0 112.352 176.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.65 93.46 3.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -97.85 97.29 8.84 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-O 121.914 0.864 . . . . 0.0 109.67 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -131.67 116.18 17.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -89.13 100.76 13.47 Favored 'General case' 0 CA--C 1.564 1.502 0 O-C-N 121.673 -0.642 . . . . 0.0 109.728 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.19 -56.09 0.86 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 112.648 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -84.61 132.35 34.5 Favored 'General case' 0 CA--C 1.563 1.456 0 O-C-N 121.281 -0.887 . . . . 0.0 112.012 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.79 -78.7 1.14 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -89.55 116.77 27.95 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -134.89 93.88 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -137.99 112.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -81.7 -57.09 3.6 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -87.4 115.61 24.94 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 119.01 0.823 . . . . 0.0 110.684 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -86.72 135.14 33.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.936 -0.477 . . . . 0.0 110.945 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -80.94 72.2 7.94 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 123.0 1.381 . . . . 0.0 111.589 170.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -178.96 152.35 0.57 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 127.673 2.389 . . . . 0.0 105.871 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 m -59.6 104.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 119.829 -1.794 . . . . 0.0 112.79 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.65 126.93 31.83 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.339 0.655 . . . . 0.0 110.831 -174.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.44 114.56 26.98 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 154.37 36.22 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.283 13.1 pt-20 -75.78 65.69 1.95 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 123.707 1.717 . . . . 0.0 115.304 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -170.93 98.72 0.22 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.8 t -136.44 99.19 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.44 120.85 5.77 Favored Glycine 0 N--CA 1.482 1.756 0 O-C-N 122.101 -0.374 . . . . 0.0 112.748 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' HG ' ' HG2' ' A' ' 28' ' ' LYS . 94.9 p -80.16 145.98 32.04 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -73.17 87.17 1.42 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 122.076 0.941 . . . . 0.0 111.783 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HG2' ' HG ' ' A' ' 26' ' ' SER . 18.9 ptpt -148.8 130.94 15.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.367 1.067 . . . . 0.0 109.44 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.83 78.93 0.05 OUTLIER Glycine 0 N--CA 1.483 1.809 0 O-C-N 121.483 -0.761 . . . . 0.0 112.864 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.17 113.71 25.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.18 0.592 . . . . 0.0 110.313 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 pt -143.72 116.68 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -81.14 140.45 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.82 -1.175 . . . . 0.0 112.082 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.54 81.13 0.08 OUTLIER Glycine 0 N--CA 1.483 1.83 0 N-CA-C 111.706 -0.557 . . . . 0.0 111.706 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -88.22 116.95 26.78 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.7 ptp -131.05 106.56 8.46 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.51 0.672 . . . . 0.0 109.207 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.3 t -137.52 104.31 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 104.722 -2.325 . . . . 0.0 104.722 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.43 -88.76 0.07 OUTLIER Glycine 0 N--CA 1.484 1.891 0 O-C-N 121.845 -0.534 . . . . 0.0 111.878 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.7 87.29 0.08 OUTLIER Glycine 0 N--CA 1.482 1.761 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.39 94.84 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.309 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 CA--C 1.569 1.689 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.55 -46.95 24.19 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -128.13 114.89 17.59 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -92.79 115.91 28.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.456 -0.778 . . . . 0.0 109.482 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -130.97 120.05 22.95 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -81.32 134.46 35.58 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -91.0 119.36 31.12 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.699 0.762 . . . . 0.0 109.839 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 m -87.65 131.02 34.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.694 -0.629 . . . . 0.0 111.964 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.41 -88.8 0.07 OUTLIER Glycine 0 N--CA 1.484 1.891 0 O-C-N 121.858 -0.526 . . . . 0.0 112.196 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -94.48 119.93 33.94 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.743 0.417 . . . . 0.0 110.115 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -121.8 86.04 2.51 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 114.1 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.64 -54.48 5.84 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -87.14 126.88 35.07 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.979 0.809 . . . . 0.0 111.3 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -87.56 94.92 9.86 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.295 0.638 . . . . 0.0 109.956 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 69.25 5.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 122.188 0.994 . . . . 0.0 109.761 174.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tt -165.41 124.19 1.68 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.69 108.49 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.243 -0.91 . . . . 0.0 111.569 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -72.65 115.57 12.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.571 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -89.08 116.16 27.15 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.46 129.28 38.4 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 122.027 -0.421 . . . . 0.0 111.746 169.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.39 79.31 1.38 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-O 122.918 1.342 . . . . 0.0 112.96 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -155.4 100.91 2.16 Favored 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.34 117.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.59 -77.15 1.13 Allowed Glycine 0 N--CA 1.487 2.098 0 N-CA-C 114.629 0.611 . . . . 0.0 114.629 -175.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -82.63 141.51 32.46 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -76.61 89.77 3.33 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-O 121.924 0.869 . . . . 0.0 111.045 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.49 142.37 27.73 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 123.656 0.782 . . . . 0.0 111.129 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.55 -84.04 0.06 OUTLIER Glycine 0 N--CA 1.484 1.888 0 O-C-N 121.741 -0.599 . . . . 0.0 112.086 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.91 35.97 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mt -95.83 97.79 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.25 126.0 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.96 78.79 1.92 Allowed Glycine 0 N--CA 1.49 2.267 0 O-C-N 120.988 -1.07 . . . . 0.0 114.281 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.34 109.39 11.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 tpp -130.25 111.98 12.91 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.77 103.82 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.49 85.02 1.31 Allowed Glycine 0 N--CA 1.49 2.236 0 O-C-N 121.906 -0.496 . . . . 0.0 113.896 -173.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 -92.43 0.09 OUTLIER Glycine 0 N--CA 1.483 1.804 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.3 t -137.34 101.12 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 104.126 -2.546 . . . . 0.0 104.126 178.954 . . . . . . . . 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 . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.67 -59.84 1.97 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.7 95.45 3.06 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 119.409 1.004 . . . . 0.0 110.098 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -139.0 118.47 12.89 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -89.76 121.34 31.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.001 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -81.85 -56.2 4.13 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.65 122.31 32.66 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.329 0.652 . . . . 0.0 110.226 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -128.11 126.23 40.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.35 0.66 . . . . 0.0 110.105 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.71 105.64 0.18 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -176.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -92.86 110.25 21.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.04 89.74 2.56 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 122.472 1.129 . . . . 0.0 109.018 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.22 103.75 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -83.45 -57.71 3.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -95.11 111.05 22.92 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.856 0.753 . . . . 0.0 109.145 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -93.3 94.43 8.75 Favored 'General case' 0 CA--C 1.563 1.443 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -92.7 75.66 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.499 1.142 . . . . 0.0 109.615 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -170.49 131.77 0.94 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.72 95.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -75.12 139.06 42.48 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 121.457 0.646 . . . . 0.0 112.101 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -86.8 116.83 25.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.798 -0.564 . . . . 0.0 110.22 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.31 152.88 41.83 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.26 87.82 1.13 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.393 1.092 . . . . 0.0 112.481 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.53 -41.58 0.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.532 1.133 . . . . 0.0 112.246 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.83 123.79 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.636 0 O-C-N 121.144 -0.972 . . . . 0.0 109.166 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.79 83.18 0.14 Allowed Glycine 0 N--CA 1.486 2.01 0 O-C-N 121.6 -0.688 . . . . 0.0 111.923 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.8 p -124.23 133.74 53.44 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.689 0.796 . . . . 0.0 110.9 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.3 96.33 9.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 0.0 109.471 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -88.48 141.74 28.29 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.712 0.768 . . . . 0.0 111.316 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.43 -91.95 0.12 Allowed Glycine 0 N--CA 1.484 1.873 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 125.47 40.93 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.302 0.641 . . . . 0.0 110.565 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 pt -90.76 113.74 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.562 -0.711 . . . . 0.0 109.96 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -87.73 122.3 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.177 -0.952 . . . . 0.0 110.299 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.17 77.98 1.81 Allowed Glycine 0 N--CA 1.489 2.184 0 O-C-N 121.263 -0.898 . . . . 0.0 114.09 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.3 mt -137.16 118.55 14.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.7 mtt -89.05 118.95 29.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.666 -0.646 . . . . 0.0 110.144 175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.83 102.91 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.4 -88.35 0.07 OUTLIER Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.974 -0.454 . . . . 0.0 112.44 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.43 -85.98 1.29 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 114.245 0.458 . . . . 0.0 114.245 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.57 115.57 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 122.982 0.513 . . . . 0.0 110.158 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.497 1.883 0 C-N-CA 123.239 0.616 . . . . 0.0 110.339 176.191 . . . . . . . . 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 . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.17 -45.32 27.12 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.59 122.07 30.82 Favored 'General case' 0 CA--C 1.566 1.567 0 CA-C-N 119.062 0.846 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -86.87 122.23 30.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.568 -0.707 . . . . 0.0 110.408 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -85.76 122.36 29.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.626 -0.671 . . . . 0.0 110.258 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -127.05 115.36 19.07 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -138.02 114.94 10.76 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.1 t -87.96 125.3 34.44 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 121.186 -0.946 . . . . 0.0 111.591 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.91 117.75 5.09 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 122.122 -0.361 . . . . 0.0 112.718 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -83.47 89.81 7.11 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.613 0.721 . . . . 0.0 111.483 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.59 86.63 2.44 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.286 1.041 . . . . 0.0 110.3 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.42 106.57 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -84.67 -55.3 4.18 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.129 -0.982 . . . . 0.0 113.242 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.04 126.51 34.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 119.116 0.871 . . . . 0.0 111.104 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -91.59 92.9 8.69 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -92.63 70.54 4.91 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.37 1.081 . . . . 0.0 110.064 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.42 126.33 2.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 95.81 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 O-C-N 121.366 -0.834 . . . . 0.0 112.013 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -78.87 112.01 15.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.548 -0.72 . . . . 0.0 109.915 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -88.34 112.5 22.92 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.381 0.61 . . . . 0.0 110.289 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.36 67.68 9.55 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 121.999 0.904 . . . . 0.0 112.017 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -112.02 140.72 46.47 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.331 1.052 . . . . 0.0 109.753 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -78.09 87.23 4.22 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.299 1.047 . . . . 0.0 110.856 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -88.24 148.81 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 CA-C-O 122.17 0.986 . . . . 0.0 111.665 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.57 121.9 5.64 Favored Glycine 0 CA--C 1.545 1.907 0 O-C-N 121.292 -0.88 . . . . 0.0 114.08 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -73.79 155.85 38.43 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -67.45 98.1 0.63 Allowed 'General case' 0 CA--C 1.572 1.816 0 O-C-N 121.382 -0.824 . . . . 0.0 112.027 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 145.75 27.22 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 123.494 0.718 . . . . 0.0 111.064 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.75 -72.25 0.89 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.99 70.17 0.91 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.063 0.935 . . . . 0.0 112.367 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.41 102.02 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 103.188 -2.893 . . . . 0.0 103.188 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.74 141.26 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 CA-C-O 122.065 0.936 . . . . 0.0 110.819 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.0 70.05 0.19 Allowed Glycine 0 N--CA 1.486 1.997 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.513 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.82 121.17 23.69 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ttt -86.81 117.17 25.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.712 -0.617 . . . . 0.0 110.566 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -97.58 104.81 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.57 86.29 1.54 Allowed Glycine 0 N--CA 1.489 2.185 0 O-C-N 122.196 -0.315 . . . . 0.0 113.559 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.14 -92.52 0.1 OUTLIER Glycine 0 N--CA 1.483 1.773 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -137.13 103.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 173.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.494 1.727 0 C-N-CA 123.271 0.628 . . . . 0.0 109.977 -179.783 . . . . . . . . 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 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.0 -47.69 23.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.31 143.2 30.53 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 122.522 1.154 . . . . 0.0 112.814 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.88 127.64 33.69 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.113 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -88.31 123.04 32.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.687 -0.633 . . . . 0.0 110.411 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -91.3 127.81 36.88 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.299 0.64 . . . . 0.0 110.666 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -80.65 -52.76 7.2 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 t -86.64 125.77 34.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.111 -0.993 . . . . 0.0 112.115 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.61 -169.34 42.06 Favored Glycine 0 N--CA 1.482 1.716 0 CA-C-O 122.673 1.152 . . . . 0.0 114.596 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -93.33 114.8 27.33 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.753 -0.724 . . . . 0.0 109.829 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.3 90.22 3.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -131.44 94.36 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -77.55 -52.74 8.56 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -88.91 123.41 33.24 Favored 'General case' 0 CA--C 1.564 1.508 0 C-N-CA 123.364 0.666 . . . . 0.0 110.209 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -82.93 122.94 28.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.844 -0.535 . . . . 0.0 110.86 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -86.89 66.04 9.26 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-O 122.583 1.182 . . . . 0.0 111.676 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.71 146.27 0.25 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.099 2.16 . . . . 0.0 106.541 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -63.77 100.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.355 -1.465 . . . . 0.0 112.363 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -72.13 134.91 46.01 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -174.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -138.96 118.4 12.87 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.43 79.02 9.71 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-O 121.863 0.839 . . . . 0.0 111.968 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.88 139.19 23.58 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.11 0.964 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.26 93.12 6.45 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 122.205 1.002 . . . . 0.0 110.145 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.11 92.68 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.84 84.82 0.37 Allowed Glycine 0 N--CA 1.486 2.026 0 O-C-N 121.414 -0.804 . . . . 0.0 112.389 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -126.22 24.9 6.76 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -153.61 91.27 1.46 Allowed 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -150.92 138.89 19.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.682 -0.636 . . . . 0.0 110.326 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.96 84.76 1.22 Allowed Glycine 0 N--CA 1.488 2.151 0 O-C-N 121.836 -0.54 . . . . 0.0 113.953 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.76 133.22 38.3 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 pt -86.7 114.08 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.889 -0.507 . . . . 0.0 109.956 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -83.83 140.77 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.919 . . . . 0.0 111.809 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 83.31 0.08 OUTLIER Glycine 0 N--CA 1.483 1.814 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.75 136.77 40.29 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 122.966 0.506 . . . . 0.0 111.579 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -92.47 116.67 29.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.597 -0.69 . . . . 0.0 109.723 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.42 102.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.32 -86.19 1.2 Allowed Glycine 0 N--CA 1.488 2.138 0 O-C-N 121.915 -0.49 . . . . 0.0 113.383 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.83 174.14 42.13 Favored Glycine 0 N--CA 1.482 1.766 0 CA-C-O 122.317 0.954 . . . . 0.0 114.693 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -93.44 111.85 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.712 177.338 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.73 131.16 34.38 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -92.71 114.56 27.15 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 121.428 0.632 . . . . 0.0 109.76 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -91.16 119.83 31.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.691 -0.631 . . . . 0.0 110.049 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -90.13 117.27 28.77 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.943 -0.473 . . . . 0.0 109.952 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -88.37 125.38 34.67 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.019 0.528 . . . . 0.0 110.41 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.38 136.74 35.73 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.121 0.962 . . . . 0.0 113.054 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -74.52 -32.95 62.65 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.24 86.42 0.08 OUTLIER Glycine 0 N--CA 1.481 1.673 0 CA-C-N 118.755 0.707 . . . . 0.0 111.491 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -126.19 105.7 9.02 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -134.65 92.0 2.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.92 102.85 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -87.03 -57.34 3.0 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -90.97 125.2 35.71 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.889 0.768 . . . . 0.0 110.845 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.4 115.62 27.71 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -89.97 69.43 7.42 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-O 122.291 1.044 . . . . 0.0 111.004 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.25 145.07 0.24 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 126.551 1.94 . . . . 0.0 107.027 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.263 10.8 p -70.9 91.83 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.68 -1.262 . . . . 0.0 111.676 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -81.23 123.86 28.82 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.406 0.683 . . . . 0.0 110.446 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.4 117.19 29.74 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 68.5 6.75 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 122.446 1.117 . . . . 0.0 113.438 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -156.3 146.68 21.55 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 125.061 1.344 . . . . 0.0 109.02 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -74.07 86.91 1.86 Allowed 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 122.578 1.18 . . . . 0.0 111.411 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -98.64 99.37 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.83 80.1 0.08 OUTLIER Glycine 0 N--CA 1.485 1.905 0 O-C-N 121.745 -0.597 . . . . 0.0 112.483 -173.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -121.47 169.21 10.86 Favored 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 123.779 0.831 . . . . 0.0 111.065 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.26 89.36 0.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.65 -1.281 . . . . 0.0 111.439 174.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -113.46 -61.64 1.71 Allowed 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 124.162 0.985 . . . . 0.0 110.745 -169.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.78 88.86 1.5 Allowed Glycine 0 N--CA 1.489 2.171 0 CA-C-N 119.329 0.968 . . . . 0.0 113.994 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.99 124.92 34.21 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 121.387 0.613 . . . . 0.0 112.413 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.36 100.01 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tp -81.23 139.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.229 -0.919 . . . . 0.0 111.679 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.47 -80.71 1.23 Allowed Glycine 0 N--CA 1.489 2.181 0 O-C-N 121.864 -0.522 . . . . 0.0 114.277 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.81 119.28 31.47 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.25 112.92 25.03 Favored 'General case' 0 CA--C 1.563 1.456 0 O-C-N 121.825 -0.547 . . . . 0.0 109.597 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.28 104.23 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.0 -88.04 0.07 OUTLIER Glycine 0 N--CA 1.483 1.818 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.54 85.29 0.07 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 m -141.49 108.63 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 CA--C 1.568 1.668 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.82 129.61 34.79 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 119.744 1.156 . . . . 0.0 113.136 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.77 108.71 6.32 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -143.68 121.31 11.82 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -133.21 130.68 39.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.763 -0.585 . . . . 0.0 110.664 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -133.47 124.68 27.46 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.16 125.83 35.22 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.515 0.674 . . . . 0.0 110.751 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -85.76 132.68 34.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.0 112.363 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -91.69 1.72 Allowed Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.558 -0.714 . . . . 0.0 113.516 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -89.62 112.57 23.84 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 122.792 0.437 . . . . 0.0 111.356 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.7 84.16 2.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.202 1.001 . . . . 0.0 109.851 176.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -146.57 115.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -82.73 -60.29 2.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -0.896 . . . . 0.0 113.11 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -85.39 121.64 28.4 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 119.255 0.934 . . . . 0.0 111.864 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.11 90.74 7.48 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.498 -0.752 . . . . 0.0 109.548 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -97.96 71.82 2.19 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.201 1.001 . . . . 0.0 109.676 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -162.72 127.39 3.13 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.34 105.11 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.039 -1.038 . . . . 0.0 112.113 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -73.73 135.18 43.6 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 121.499 -0.751 . . . . 0.0 111.958 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -88.8 116.91 27.42 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.195 0.522 . . . . 0.0 109.978 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.45 157.25 37.21 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.28 12.4 pt-20 -75.88 63.22 1.67 Allowed 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -160.9 98.19 1.19 Allowed 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.22 103.6 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.09 84.1 0.16 Allowed Glycine 0 N--CA 1.484 1.849 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.3 p -89.78 141.09 28.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.038 0.535 . . . . 0.0 112.079 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -77.16 88.72 3.63 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.65 0.738 . . . . 0.0 110.736 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -103.93 142.4 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.953 0.901 . . . . 0.0 111.918 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.38 -85.44 0.05 OUTLIER Glycine 0 N--CA 1.486 1.984 0 O-C-N 121.985 -0.447 . . . . 0.0 112.043 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.37 131.32 34.42 Favored 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -131.27 118.76 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -83.07 124.66 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.251 -0.906 . . . . 0.0 110.637 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.25 78.42 1.87 Allowed Glycine 0 N--CA 1.488 2.11 0 O-C-N 121.287 -0.883 . . . . 0.0 114.131 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.51 112.42 24.37 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -87.78 120.36 29.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.724 -0.61 . . . . 0.0 110.159 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.47 103.04 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.17 -89.31 0.07 OUTLIER Glycine 0 N--CA 1.484 1.868 0 O-C-N 121.933 -0.479 . . . . 0.0 112.157 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.25 85.71 1.55 Allowed Glycine 0 N--CA 1.487 2.084 0 CA-C-N 117.1 0.45 . . . . 0.0 113.971 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.88 91.29 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.435 0.636 . . . . 0.0 109.528 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.265 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.914 0 N-CA-C 112.242 -0.343 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -131.09 116.84 18.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -127.12 88.21 2.77 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.307 1.051 . . . . 0.0 109.473 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.95 110.44 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -86.97 -62.5 1.49 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.86 . . . . 0.0 112.513 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -92.7 119.34 31.99 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.07 0.85 . . . . 0.0 110.265 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.19 124.42 34.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -84.73 64.25 8.44 Favored 'General case' 0 CA--C 1.579 2.088 0 O-C-N 120.956 -1.09 . . . . 0.0 112.314 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.68 153.52 2.27 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 126.418 1.887 . . . . 0.0 107.854 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -70.08 92.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.082 -1.636 . . . . 0.0 111.213 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -86.82 91.39 8.63 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.54 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -92.85 108.95 20.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.38 66.83 8.15 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-O 122.219 1.009 . . . . 0.0 112.909 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 CA--C 1.565 1.554 0 C-N-CA 124.974 1.309 . . . . 0.0 109.532 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 113.983 0.353 . . . . 0.0 113.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -87.62 90.2 8.28 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.116 0.96 . . . . 0.0 111.1 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.04 91.93 5.02 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.68 95.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -80.3 -52.25 7.93 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -87.04 118.33 26.35 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 119.133 0.879 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -89.66 89.33 7.75 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 121.523 0.677 . . . . 0.0 109.951 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -96.37 75.72 2.93 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 122.173 0.987 . . . . 0.0 109.724 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -173.11 140.94 0.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.665 1.586 . . . . 0.0 107.294 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.281 10.0 p -78.12 90.14 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 120.667 -1.271 . . . . 0.0 110.805 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -78.72 136.53 37.44 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.531 0.681 . . . . 0.0 111.582 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.55 116.42 26.78 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.78 61.21 5.04 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 CA--C 1.566 1.571 0 C-N-CA 125.103 1.361 . . . . 0.0 108.538 179.541 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.46 104.11 16.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -135.72 92.58 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.08 108.99 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -84.59 -54.13 4.94 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.37 122.66 32.12 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 119.302 0.955 . . . . 0.0 110.649 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.97 136.8 32.8 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 121.989 0.899 . . . . 0.0 111.305 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -105.41 108.95 20.74 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 171.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 96.74 0.08 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 123.096 1.426 . . . . 0.0 113.744 -164.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.43 96.36 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 N-CA-C 102.019 -3.326 . . . . 0.0 102.019 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.79 124.06 25.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.981 -1.074 . . . . 0.0 111.384 -171.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.65 116.36 30.71 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.15 152.52 42.24 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.578 2.053 0 CA-C-O 122.764 1.268 . . . . 0.0 113.792 178.528 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.7 113.54 9.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.91 86.56 2.52 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.51 102.42 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.19 -54.71 5.5 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -98.76 121.9 41.3 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.924 0.784 . . . . 0.0 110.041 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.2 89.23 6.8 Favored 'General case' 0 CA--C 1.566 1.57 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -94.3 78.32 3.94 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.111 0.957 . . . . 0.0 110.087 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -169.6 137.98 1.84 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.132 1.373 . . . . 0.0 107.728 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.31 90.72 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.841 -1.162 . . . . 0.0 110.526 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -63.26 133.83 54.86 Favored 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -138.84 116.0 11.03 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.57 75.12 7.55 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 111.733 172.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.489 1.52 0 C-N-CA 123.738 0.815 . . . . 0.0 110.438 -179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -89.7 92.33 9.02 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.794 0.806 . . . . 0.0 111.214 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -126.97 92.14 3.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.94 113.88 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -80.3 -50.7 9.83 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.82 126.81 29.58 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 118.982 0.81 . . . . 0.0 109.15 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.06 130.45 35.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.401 -0.812 . . . . 0.0 111.606 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.278 20.3 pttp -86.8 58.95 5.36 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.661 1.219 . . . . 0.0 113.38 167.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.81 145.21 0.22 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 127.136 2.174 . . . . 0.0 106.61 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -69.44 126.67 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.094 -1.628 . . . . 0.0 111.422 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -66.91 117.25 8.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.486 -0.759 . . . . 0.0 111.507 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -92.84 112.92 25.05 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 117.76 19.23 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 122.153 -0.342 . . . . 0.0 110.635 169.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 122.325 1.059 . . . . 0.0 113.05 -175.649 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -89.55 116.77 27.95 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -134.89 93.88 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -137.99 112.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -81.7 -57.09 3.6 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -87.4 115.61 24.94 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 119.01 0.823 . . . . 0.0 110.684 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -86.72 135.14 33.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.936 -0.477 . . . . 0.0 110.945 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -80.94 72.2 7.94 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 123.0 1.381 . . . . 0.0 111.589 170.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -178.96 152.35 0.57 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 127.673 2.389 . . . . 0.0 105.871 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 m -59.6 104.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 119.829 -1.794 . . . . 0.0 112.79 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.65 126.93 31.83 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.339 0.655 . . . . 0.0 110.831 -174.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.44 114.56 26.98 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 154.37 36.22 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.283 13.1 pt-20 . . . . . 0 N--CA 1.499 2.01 0 CA-C-O 123.707 1.717 . . . . 0.0 115.304 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -94.48 119.93 33.94 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.743 0.417 . . . . 0.0 110.115 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -121.8 86.04 2.51 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 114.1 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.64 -54.48 5.84 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -87.14 126.88 35.07 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.979 0.809 . . . . 0.0 111.3 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -87.56 94.92 9.86 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.295 0.638 . . . . 0.0 109.956 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 69.25 5.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 122.188 0.994 . . . . 0.0 109.761 174.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tt -165.41 124.19 1.68 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.69 108.49 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.243 -0.91 . . . . 0.0 111.569 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -72.65 115.57 12.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.571 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -89.08 116.16 27.15 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.46 129.28 38.4 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 122.027 -0.421 . . . . 0.0 111.746 169.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 122.918 1.342 . . . . 0.0 112.96 -177.516 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -92.86 110.25 21.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.04 89.74 2.56 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 122.472 1.129 . . . . 0.0 109.018 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.22 103.75 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -83.45 -57.71 3.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -95.11 111.05 22.92 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.856 0.753 . . . . 0.0 109.145 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -93.3 94.43 8.75 Favored 'General case' 0 CA--C 1.563 1.443 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -92.7 75.66 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.499 1.142 . . . . 0.0 109.615 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -170.49 131.77 0.94 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.72 95.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -75.12 139.06 42.48 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 121.457 0.646 . . . . 0.0 112.101 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -86.8 116.83 25.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.798 -0.564 . . . . 0.0 110.22 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.31 152.88 41.83 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 122.393 1.092 . . . . 0.0 112.481 178.267 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.718 -0.153 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -83.47 89.81 7.11 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.613 0.721 . . . . 0.0 111.483 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.59 86.63 2.44 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.286 1.041 . . . . 0.0 110.3 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.42 106.57 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -84.67 -55.3 4.18 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.129 -0.982 . . . . 0.0 113.242 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.04 126.51 34.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 119.116 0.871 . . . . 0.0 111.104 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -91.59 92.9 8.69 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -92.63 70.54 4.91 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.37 1.081 . . . . 0.0 110.064 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.42 126.33 2.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 95.81 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 O-C-N 121.366 -0.834 . . . . 0.0 112.013 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -78.87 112.01 15.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.548 -0.72 . . . . 0.0 109.915 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -88.34 112.5 22.92 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.381 0.61 . . . . 0.0 110.289 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.36 67.68 9.55 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 121.999 0.904 . . . . 0.0 112.017 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 124.331 1.052 . . . . 0.0 109.753 -179.689 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 CA-C-O 122.673 1.152 . . . . 0.0 114.596 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -93.33 114.8 27.33 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.753 -0.724 . . . . 0.0 109.829 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.3 90.22 3.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -131.44 94.36 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -77.55 -52.74 8.56 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -88.91 123.41 33.24 Favored 'General case' 0 CA--C 1.564 1.508 0 C-N-CA 123.364 0.666 . . . . 0.0 110.209 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -82.93 122.94 28.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.844 -0.535 . . . . 0.0 110.86 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -86.89 66.04 9.26 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-O 122.583 1.182 . . . . 0.0 111.676 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.71 146.27 0.25 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.099 2.16 . . . . 0.0 106.541 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -63.77 100.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.355 -1.465 . . . . 0.0 112.363 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -72.13 134.91 46.01 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -174.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -138.96 118.4 12.87 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.43 79.02 9.71 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-O 121.863 0.839 . . . . 0.0 111.968 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 124.11 0.964 . . . . 0.0 110.141 179.56 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -126.19 105.7 9.02 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -134.65 92.0 2.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.92 102.85 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -87.03 -57.34 3.0 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -90.97 125.2 35.71 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.889 0.768 . . . . 0.0 110.845 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.4 115.62 27.71 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -89.97 69.43 7.42 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-O 122.291 1.044 . . . . 0.0 111.004 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.25 145.07 0.24 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 126.551 1.94 . . . . 0.0 107.027 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.263 10.8 p -70.9 91.83 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.68 -1.262 . . . . 0.0 111.676 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -81.23 123.86 28.82 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.406 0.683 . . . . 0.0 110.446 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.4 117.19 29.74 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 68.5 6.75 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 122.446 1.117 . . . . 0.0 113.438 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.565 1.536 0 C-N-CA 125.061 1.344 . . . . 0.0 109.02 178.68 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 113.516 0.167 . . . . 0.0 113.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -89.62 112.57 23.84 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 122.792 0.437 . . . . 0.0 111.356 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.7 84.16 2.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.202 1.001 . . . . 0.0 109.851 176.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -146.57 115.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -82.73 -60.29 2.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -0.896 . . . . 0.0 113.11 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -85.39 121.64 28.4 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 119.255 0.934 . . . . 0.0 111.864 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.11 90.74 7.48 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.498 -0.752 . . . . 0.0 109.548 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -97.96 71.82 2.19 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.201 1.001 . . . . 0.0 109.676 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -162.72 127.39 3.13 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.34 105.11 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.039 -1.038 . . . . 0.0 112.113 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -73.73 135.18 43.6 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 121.499 -0.751 . . . . 0.0 111.958 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -88.8 116.91 27.42 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.195 0.522 . . . . 0.0 109.978 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.45 157.25 37.21 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.28 12.4 pt-20 . . . . . 0 CA--C 1.579 2.07 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.564 1.518 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.3 130.33 34.55 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -92.24 114.95 27.64 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.455 0.645 . . . . 0.0 109.728 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -90.15 119.77 30.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.581 -0.699 . . . . 0.0 109.875 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -131.66 140.96 49.48 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.239 0.615 . . . . 0.0 111.37 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -121.66 115.46 22.77 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -133.25 -55.01 0.91 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.116 0.566 . . . . 0.0 111.926 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.7 p -126.48 128.72 47.38 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.583 1.083 . . . . 0.0 111.389 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.82 -85.19 0.06 OUTLIER Glycine 0 N--CA 1.485 1.914 0 O-C-N 122.011 -0.431 . . . . 0.0 112.242 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -131.09 116.84 18.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -127.12 88.21 2.77 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.307 1.051 . . . . 0.0 109.473 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.95 110.44 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -86.97 -62.5 1.49 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.86 . . . . 0.0 112.513 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -92.7 119.34 31.99 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.07 0.85 . . . . 0.0 110.265 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.19 124.42 34.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -84.73 64.25 8.44 Favored 'General case' 0 CA--C 1.579 2.088 0 O-C-N 120.956 -1.09 . . . . 0.0 112.314 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.68 153.52 2.27 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 126.418 1.887 . . . . 0.0 107.854 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -70.08 92.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.082 -1.636 . . . . 0.0 111.213 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -86.82 91.39 8.63 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.54 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -92.85 108.95 20.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.38 66.83 8.15 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-O 122.219 1.009 . . . . 0.0 112.909 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.53 146.15 19.44 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.974 1.309 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -76.27 102.79 5.99 Favored 'General case' 0 CA--C 1.566 1.566 0 O-C-N 121.18 -0.95 . . . . 0.0 110.734 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -85.73 125.23 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 CA-C-O 121.659 0.742 . . . . 0.0 110.982 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.23 111.78 0.31 Allowed Glycine 0 N--CA 1.482 1.71 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.7 p -82.26 132.88 35.23 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -80.99 90.15 5.95 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 121.611 0.72 . . . . 0.0 111.492 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -81.89 -51.98 7.55 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 -86.25 1.5 Allowed Glycine 0 N--CA 1.489 2.2 0 CA-C-N 119.698 1.136 . . . . 0.0 113.617 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.33 133.45 35.23 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -126.18 142.86 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 123.552 0.741 . . . . 0.0 110.683 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tp -76.91 140.08 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.181 -0.949 . . . . 0.0 112.593 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.09 80.82 0.05 OUTLIER Glycine 0 N--CA 1.483 1.823 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 tp -89.57 112.28 23.44 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.3 ptp -132.61 99.97 4.81 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.04 94.34 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.95 -88.97 1.56 Allowed Glycine 0 N--CA 1.488 2.14 0 O-C-N 121.723 -0.611 . . . . 0.0 113.07 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.66 -91.98 2.2 Favored Glycine 0 N--CA 1.489 2.184 0 CA-C-N 116.867 0.334 . . . . 0.0 113.112 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.33 115.22 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.494 1.731 0 C-N-CA 123.319 0.648 . . . . 0.0 110.006 177.07 . . . . . . . . 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 . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.85 130.51 34.92 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 120.028 1.285 . . . . 0.0 112.987 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -131.86 113.44 13.48 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -132.68 115.77 15.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -90.18 127.5 36.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.623 -0.673 . . . . 0.0 110.461 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -68.45 -41.0 80.89 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -80.72 -48.87 11.94 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 m -70.29 -32.07 69.69 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.33 86.68 1.5 Allowed Glycine 0 N--CA 1.485 1.953 0 CA-C-N 119.735 1.152 . . . . 0.0 113.983 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -87.62 90.2 8.28 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.116 0.96 . . . . 0.0 111.1 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.04 91.93 5.02 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.68 95.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -80.3 -52.25 7.93 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -87.04 118.33 26.35 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 119.133 0.879 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.66 89.33 7.75 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 121.523 0.677 . . . . 0.0 109.951 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -96.37 75.72 2.93 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 122.173 0.987 . . . . 0.0 109.724 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -173.11 140.94 0.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.665 1.586 . . . . 0.0 107.294 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.281 10.0 p -78.12 90.14 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 120.667 -1.271 . . . . 0.0 110.805 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -78.72 136.53 37.44 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.531 0.681 . . . . 0.0 111.582 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.55 116.42 26.78 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.78 61.21 5.04 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -139.18 150.01 45.08 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 125.103 1.361 . . . . 0.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.73 87.83 1.72 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.769 -1.207 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.92 111.91 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 123.959 0.904 . . . . 0.0 108.679 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.96 -82.73 1.17 Allowed Glycine 0 N--CA 1.487 2.095 0 O-C-N 121.689 -0.632 . . . . 0.0 113.753 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -86.04 135.12 33.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -77.85 101.77 6.93 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 121.588 -0.695 . . . . 0.0 111.878 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -134.13 140.61 46.7 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.5 76.55 0.27 Allowed Glycine 0 N--CA 1.486 1.981 0 CA-C-N 116.218 -0.447 . . . . 0.0 112.279 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.84 131.02 34.39 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.62 97.0 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.282 2.7 pp -138.2 -40.64 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.96 79.9 0.06 OUTLIER Glycine 0 N--CA 1.486 2.024 0 CA-C-N 119.603 1.092 . . . . 0.0 112.161 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 tp -128.4 113.04 15.06 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.64 122.98 31.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.638 -0.664 . . . . 0.0 110.455 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -89.45 94.79 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-O 121.785 0.802 . . . . 0.0 110.014 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.42 87.25 0.08 OUTLIER Glycine 0 N--CA 1.485 1.918 0 O-C-N 121.703 -0.623 . . . . 0.0 112.245 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.3 -91.46 1.71 Allowed Glycine 0 N--CA 1.486 2.014 0 CA-C-N 116.798 0.299 . . . . 0.0 113.513 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -130.04 -81.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 173.288 . . . . . . . . 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 . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.556 1.207 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.59 131.27 34.38 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -125.93 113.09 16.72 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -90.3 122.42 33.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.596 -0.69 . . . . 0.0 109.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -126.15 117.01 22.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -86.3 114.5 23.15 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 121.789 -0.569 . . . . 0.0 111.382 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.46 -66.59 0.87 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.202 0.601 . . . . 0.0 110.45 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.2 p -133.96 122.69 23.44 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.726 0.811 . . . . 0.0 110.382 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.54 86.91 0.06 OUTLIER Glycine 0 N--CA 1.484 1.889 0 O-C-N 121.438 -0.789 . . . . 0.0 111.711 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.46 104.11 16.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -135.72 92.58 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.08 108.99 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -84.59 -54.13 4.94 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.37 122.66 32.12 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 119.302 0.955 . . . . 0.0 110.649 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.97 136.8 32.8 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 121.989 0.899 . . . . 0.0 111.305 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -105.41 108.95 20.74 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 171.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 96.74 0.08 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 123.096 1.426 . . . . 0.0 113.744 -164.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.43 96.36 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 N-CA-C 102.019 -3.326 . . . . 0.0 102.019 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.79 124.06 25.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.981 -1.074 . . . . 0.0 111.384 -171.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.65 116.36 30.71 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.15 152.52 42.24 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.87 67.43 2.26 Favored 'General case' 0 CA--C 1.578 2.053 0 CA-C-O 122.764 1.268 . . . . 0.0 113.792 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -170.46 96.69 0.25 Allowed 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -142.73 134.15 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 78.81 1.43 Allowed Glycine 0 N--CA 1.487 2.074 0 O-C-N 121.695 -0.628 . . . . 0.0 113.171 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -130.97 67.9 1.5 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.337 1.065 . . . . 0.0 111.009 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -168.43 -50.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.012 1.325 . . . . 0.0 110.482 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -70.71 148.89 47.52 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.85 -93.7 0.1 OUTLIER Glycine 0 N--CA 1.485 1.963 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.79 130.52 41.93 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.379 0.671 . . . . 0.0 110.834 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -106.64 94.83 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.261 7.3 pt -140.75 -57.22 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 C-N-CA 123.609 0.764 . . . . 0.0 111.707 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.17 -88.18 0.07 OUTLIER Glycine 0 N--CA 1.485 1.956 0 CA-C-N 119.476 1.034 . . . . 0.0 112.342 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.33 138.29 32.97 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-O 121.289 0.566 . . . . 0.0 111.184 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -91.88 115.75 28.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.499 -0.75 . . . . 0.0 109.987 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.3 98.17 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.785 0.802 . . . . 0.0 109.775 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.19 86.82 0.08 OUTLIER Glycine 0 N--CA 1.485 1.911 0 O-C-N 121.641 -0.662 . . . . 0.0 112.031 -174.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.83 87.54 0.09 OUTLIER Glycine 0 N--CA 1.483 1.801 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.303 8.6 p -133.26 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.514 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.492 1.669 0 CA-C-N 119.507 1.048 . . . . 0.0 110.021 173.856 . . . . . . . . 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 . . . . . . . . . . . . . 12.4 t70 . . . . . 0 CA--C 1.571 1.765 0 CA-C-O 118.441 -0.79 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.09 -52.01 1.87 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -85.12 133.53 34.21 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-N 119.639 1.109 . . . . 0.0 111.541 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -89.5 123.69 33.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.741 -0.599 . . . . 0.0 110.379 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -125.49 115.8 20.8 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -86.72 120.35 27.93 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 122.994 0.518 . . . . 0.0 111.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -90.66 118.0 29.75 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.398 1.094 . . . . 0.0 111.009 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -88.19 124.96 34.35 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.225 -0.922 . . . . 0.0 112.291 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.21 -97.49 0.15 Allowed Glycine 0 N--CA 1.481 1.678 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.7 113.54 9.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.91 86.56 2.52 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.51 102.42 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.19 -54.71 5.5 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -98.76 121.9 41.3 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.924 0.784 . . . . 0.0 110.041 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.2 89.23 6.8 Favored 'General case' 0 CA--C 1.566 1.57 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -94.3 78.32 3.94 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.111 0.957 . . . . 0.0 110.087 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -169.6 137.98 1.84 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.132 1.373 . . . . 0.0 107.728 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.31 90.72 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.841 -1.162 . . . . 0.0 110.526 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -63.26 133.83 54.86 Favored 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -138.84 116.0 11.03 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.57 75.12 7.55 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 111.733 172.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -99.19 138.1 36.77 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.738 0.815 . . . . 0.0 110.438 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.83 95.22 8.39 Favored 'General case' 0 CA--C 1.568 1.653 0 CA-C-O 122.027 0.918 . . . . 0.0 109.534 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.51 113.2 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.22 64.95 4.17 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 114.999 0.76 . . . . 0.0 114.999 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -84.87 139.46 31.86 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.518 0.727 . . . . 0.0 111.435 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -72.48 82.44 1.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 122.245 1.021 . . . . 0.0 112.958 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -86.68 -51.62 6.02 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.467 0.707 . . . . 0.0 112.818 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.27 -87.25 1.45 Allowed Glycine 0 N--CA 1.487 2.072 0 CA-C-N 119.36 0.982 . . . . 0.0 113.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 129.68 35.0 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mt -132.23 97.45 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 pt -141.91 123.41 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.67 78.92 1.78 Allowed Glycine 0 N--CA 1.489 2.189 0 O-C-N 121.01 -1.056 . . . . 0.0 114.163 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -127.82 110.57 12.72 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.0 ttm -127.17 111.44 13.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.6 94.38 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.551 -0.718 . . . . 0.0 110.011 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.12 85.62 1.2 Allowed Glycine 0 N--CA 1.489 2.181 0 O-C-N 121.766 -0.584 . . . . 0.0 114.022 -172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.78 -87.38 1.47 Allowed Glycine 0 N--CA 1.49 2.262 0 CA-C-N 117.225 0.512 . . . . 0.0 113.814 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.8 t -105.03 99.69 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 104.154 -2.536 . . . . 0.0 104.154 179.041 . . . . . . . . 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 . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.6 -46.88 20.81 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.17 143.64 30.36 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.675 1.226 . . . . 0.0 112.849 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.86 126.15 33.22 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.932 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -127.91 115.52 18.69 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -90.34 122.4 33.19 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.09 0.556 . . . . 0.0 109.974 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.14 -54.59 6.08 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -86.09 132.38 34.05 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.649 0.738 . . . . 0.0 111.96 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.46 -90.44 0.08 OUTLIER Glycine 0 N--CA 1.483 1.832 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -89.7 92.33 9.02 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.794 0.806 . . . . 0.0 111.214 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -126.97 92.14 3.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.94 113.88 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -80.3 -50.7 9.83 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.82 126.81 29.58 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 118.982 0.81 . . . . 0.0 109.15 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.06 130.45 35.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.401 -0.812 . . . . 0.0 111.606 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.278 20.3 pttp -86.8 58.95 5.36 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.661 1.219 . . . . 0.0 113.38 167.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.81 145.21 0.22 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 127.136 2.174 . . . . 0.0 106.61 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -69.44 126.67 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.094 -1.628 . . . . 0.0 111.422 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -66.91 117.25 8.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.486 -0.759 . . . . 0.0 111.507 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -92.84 112.92 25.05 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 117.76 19.23 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 122.153 -0.342 . . . . 0.0 110.635 169.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -72.44 87.79 1.19 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.325 1.059 . . . . 0.0 113.05 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -153.62 92.62 1.59 Allowed 'General case' 0 CA--C 1.562 1.416 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.31 97.32 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.34 -90.98 1.69 Allowed Glycine 0 N--CA 1.488 2.123 0 O-C-N 121.483 -0.761 . . . . 0.0 114.164 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.0 p -87.42 133.24 33.76 Favored 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -86.35 93.6 9.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.504 -0.748 . . . . 0.0 109.458 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -85.59 -62.51 1.51 Allowed 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.055 0.542 . . . . 0.0 111.996 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.53 -89.59 1.41 Allowed Glycine 0 N--CA 1.488 2.161 0 CA-C-N 119.507 1.049 . . . . 0.0 114.004 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.38 134.68 33.7 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.278 7.3 tt -84.41 85.99 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.349 -0.844 . . . . 0.0 110.685 175.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 pt -87.1 129.35 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.359 -0.838 . . . . 0.0 110.423 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.76 79.9 1.79 Allowed Glycine 0 N--CA 1.487 2.046 0 O-C-N 121.408 -0.807 . . . . 0.0 113.979 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -90.55 116.07 28.17 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.128 0.571 . . . . 0.0 109.896 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mmm -133.16 120.96 21.88 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.91 93.43 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.91 0.862 . . . . 0.0 110.153 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.65 85.53 0.07 OUTLIER Glycine 0 N--CA 1.484 1.898 0 O-C-N 121.611 -0.68 . . . . 0.0 112.227 -174.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.24 85.78 0.06 OUTLIER Glycine 0 N--CA 1.483 1.786 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.24 90.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.638 0.732 . . . . 0.0 109.677 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 179.225 . . . . . . . . 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 . . . . . . . . . . . . . 15.3 t70 . . . . . 0 CA--C 1.568 1.637 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.31 124.08 32.28 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.704 1.138 . . . . 0.0 112.352 176.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.65 93.46 3.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -97.85 97.29 8.84 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-O 121.914 0.864 . . . . 0.0 109.67 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -131.67 116.18 17.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -89.13 100.76 13.47 Favored 'General case' 0 CA--C 1.564 1.502 0 O-C-N 121.673 -0.642 . . . . 0.0 109.728 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.19 -56.09 0.86 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 112.648 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -84.61 132.35 34.5 Favored 'General case' 0 CA--C 1.563 1.456 0 O-C-N 121.281 -0.887 . . . . 0.0 112.012 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.79 -78.7 1.14 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -89.55 116.77 27.95 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -134.89 93.88 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -137.99 112.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -81.7 -57.09 3.6 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -87.4 115.61 24.94 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 119.01 0.823 . . . . 0.0 110.684 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -86.72 135.14 33.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.936 -0.477 . . . . 0.0 110.945 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -80.94 72.2 7.94 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 123.0 1.381 . . . . 0.0 111.589 170.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -178.96 152.35 0.57 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 127.673 2.389 . . . . 0.0 105.871 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 m -59.6 104.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 119.829 -1.794 . . . . 0.0 112.79 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.65 126.93 31.83 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.339 0.655 . . . . 0.0 110.831 -174.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.44 114.56 26.98 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 154.37 36.22 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.283 13.1 pt-20 -75.78 65.69 1.95 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 123.707 1.717 . . . . 0.0 115.304 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -170.93 98.72 0.22 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.8 t -136.44 99.19 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.44 120.85 5.77 Favored Glycine 0 N--CA 1.482 1.756 0 O-C-N 122.101 -0.374 . . . . 0.0 112.748 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -80.16 145.98 32.04 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -73.17 87.17 1.42 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 122.076 0.941 . . . . 0.0 111.783 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -148.8 130.94 15.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.367 1.067 . . . . 0.0 109.44 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.83 78.93 0.05 OUTLIER Glycine 0 N--CA 1.483 1.809 0 O-C-N 121.483 -0.761 . . . . 0.0 112.864 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.17 113.71 25.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.18 0.592 . . . . 0.0 110.313 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 pt -143.72 116.68 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -81.14 140.45 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.82 -1.175 . . . . 0.0 112.082 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.54 81.13 0.08 OUTLIER Glycine 0 N--CA 1.483 1.83 0 N-CA-C 111.706 -0.557 . . . . 0.0 111.706 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -88.22 116.95 26.78 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.7 ptp -131.05 106.56 8.46 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.51 0.672 . . . . 0.0 109.207 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.3 t -137.52 104.31 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 104.722 -2.325 . . . . 0.0 104.722 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.43 -88.76 0.07 OUTLIER Glycine 0 N--CA 1.484 1.891 0 O-C-N 121.845 -0.534 . . . . 0.0 111.878 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.7 87.29 0.08 OUTLIER Glycine 0 N--CA 1.482 1.761 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.39 94.84 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.309 . . . . . . . . 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 . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 CA--C 1.569 1.689 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.55 -46.95 24.19 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -128.13 114.89 17.59 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -92.79 115.91 28.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.456 -0.778 . . . . 0.0 109.482 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -130.97 120.05 22.95 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -81.32 134.46 35.58 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -91.0 119.36 31.12 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.699 0.762 . . . . 0.0 109.839 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 m -87.65 131.02 34.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.694 -0.629 . . . . 0.0 111.964 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.41 -88.8 0.07 OUTLIER Glycine 0 N--CA 1.484 1.891 0 O-C-N 121.858 -0.526 . . . . 0.0 112.196 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -94.48 119.93 33.94 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.743 0.417 . . . . 0.0 110.115 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -121.8 86.04 2.51 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 114.1 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.64 -54.48 5.84 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -87.14 126.88 35.07 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.979 0.809 . . . . 0.0 111.3 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -87.56 94.92 9.86 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.295 0.638 . . . . 0.0 109.956 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 69.25 5.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 122.188 0.994 . . . . 0.0 109.761 174.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tt -165.41 124.19 1.68 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.69 108.49 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.243 -0.91 . . . . 0.0 111.569 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -72.65 115.57 12.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.571 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -89.08 116.16 27.15 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.46 129.28 38.4 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 122.027 -0.421 . . . . 0.0 111.746 169.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.39 79.31 1.38 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-O 122.918 1.342 . . . . 0.0 112.96 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -155.4 100.91 2.16 Favored 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.34 117.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.59 -77.15 1.13 Allowed Glycine 0 N--CA 1.487 2.098 0 N-CA-C 114.629 0.611 . . . . 0.0 114.629 -175.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -82.63 141.51 32.46 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -76.61 89.77 3.33 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-O 121.924 0.869 . . . . 0.0 111.045 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.49 142.37 27.73 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 123.656 0.782 . . . . 0.0 111.129 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.55 -84.04 0.06 OUTLIER Glycine 0 N--CA 1.484 1.888 0 O-C-N 121.741 -0.599 . . . . 0.0 112.086 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.91 35.97 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mt -95.83 97.79 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.25 126.0 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.96 78.79 1.92 Allowed Glycine 0 N--CA 1.49 2.267 0 O-C-N 120.988 -1.07 . . . . 0.0 114.281 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.34 109.39 11.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 tpp -130.25 111.98 12.91 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.77 103.82 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.49 85.02 1.31 Allowed Glycine 0 N--CA 1.49 2.236 0 O-C-N 121.906 -0.496 . . . . 0.0 113.896 -173.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 -92.43 0.09 OUTLIER Glycine 0 N--CA 1.483 1.804 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.3 t -137.34 101.12 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 104.126 -2.546 . . . . 0.0 104.126 178.954 . . . . . . . . 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 . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.67 -59.84 1.97 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.7 95.45 3.06 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 119.409 1.004 . . . . 0.0 110.098 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -139.0 118.47 12.89 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -89.76 121.34 31.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.001 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -81.85 -56.2 4.13 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.65 122.31 32.66 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.329 0.652 . . . . 0.0 110.226 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -128.11 126.23 40.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.35 0.66 . . . . 0.0 110.105 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.71 105.64 0.18 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -176.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -92.86 110.25 21.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.04 89.74 2.56 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 122.472 1.129 . . . . 0.0 109.018 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.22 103.75 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -83.45 -57.71 3.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -95.11 111.05 22.92 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.856 0.753 . . . . 0.0 109.145 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -93.3 94.43 8.75 Favored 'General case' 0 CA--C 1.563 1.443 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -92.7 75.66 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.499 1.142 . . . . 0.0 109.615 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -170.49 131.77 0.94 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.72 95.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -75.12 139.06 42.48 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 121.457 0.646 . . . . 0.0 112.101 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -86.8 116.83 25.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.798 -0.564 . . . . 0.0 110.22 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.31 152.88 41.83 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.26 87.82 1.13 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.393 1.092 . . . . 0.0 112.481 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.53 -41.58 0.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.532 1.133 . . . . 0.0 112.246 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.83 123.79 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.636 0 O-C-N 121.144 -0.972 . . . . 0.0 109.166 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.79 83.18 0.14 Allowed Glycine 0 N--CA 1.486 2.01 0 O-C-N 121.6 -0.688 . . . . 0.0 111.923 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.8 p -124.23 133.74 53.44 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.689 0.796 . . . . 0.0 110.9 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.3 96.33 9.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 0.0 109.471 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -88.48 141.74 28.29 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.712 0.768 . . . . 0.0 111.316 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.43 -91.95 0.12 Allowed Glycine 0 N--CA 1.484 1.873 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 125.47 40.93 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.302 0.641 . . . . 0.0 110.565 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 pt -90.76 113.74 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.562 -0.711 . . . . 0.0 109.96 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -87.73 122.3 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.177 -0.952 . . . . 0.0 110.299 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.17 77.98 1.81 Allowed Glycine 0 N--CA 1.489 2.184 0 O-C-N 121.263 -0.898 . . . . 0.0 114.09 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.3 mt -137.16 118.55 14.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.7 mtt -89.05 118.95 29.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.666 -0.646 . . . . 0.0 110.144 175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.83 102.91 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.4 -88.35 0.07 OUTLIER Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.974 -0.454 . . . . 0.0 112.44 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.43 -85.98 1.29 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 114.245 0.458 . . . . 0.0 114.245 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.57 115.57 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 122.982 0.513 . . . . 0.0 110.158 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.497 1.883 0 C-N-CA 123.239 0.616 . . . . 0.0 110.339 176.191 . . . . . . . . 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 . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.17 -45.32 27.12 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.59 122.07 30.82 Favored 'General case' 0 CA--C 1.566 1.567 0 CA-C-N 119.062 0.846 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -86.87 122.23 30.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.568 -0.707 . . . . 0.0 110.408 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -85.76 122.36 29.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.626 -0.671 . . . . 0.0 110.258 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -127.05 115.36 19.07 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -138.02 114.94 10.76 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.1 t -87.96 125.3 34.44 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 121.186 -0.946 . . . . 0.0 111.591 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.91 117.75 5.09 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 122.122 -0.361 . . . . 0.0 112.718 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -83.47 89.81 7.11 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.613 0.721 . . . . 0.0 111.483 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.59 86.63 2.44 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.286 1.041 . . . . 0.0 110.3 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.42 106.57 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -84.67 -55.3 4.18 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.129 -0.982 . . . . 0.0 113.242 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.04 126.51 34.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 119.116 0.871 . . . . 0.0 111.104 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -91.59 92.9 8.69 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -92.63 70.54 4.91 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.37 1.081 . . . . 0.0 110.064 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.42 126.33 2.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 95.81 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 O-C-N 121.366 -0.834 . . . . 0.0 112.013 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -78.87 112.01 15.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.548 -0.72 . . . . 0.0 109.915 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -88.34 112.5 22.92 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.381 0.61 . . . . 0.0 110.289 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.36 67.68 9.55 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 121.999 0.904 . . . . 0.0 112.017 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -112.02 140.72 46.47 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.331 1.052 . . . . 0.0 109.753 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -78.09 87.23 4.22 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.299 1.047 . . . . 0.0 110.856 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -88.24 148.81 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 CA-C-O 122.17 0.986 . . . . 0.0 111.665 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.57 121.9 5.64 Favored Glycine 0 CA--C 1.545 1.907 0 O-C-N 121.292 -0.88 . . . . 0.0 114.08 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -73.79 155.85 38.43 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -67.45 98.1 0.63 Allowed 'General case' 0 CA--C 1.572 1.816 0 O-C-N 121.382 -0.824 . . . . 0.0 112.027 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 145.75 27.22 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 123.494 0.718 . . . . 0.0 111.064 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.75 -72.25 0.89 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.99 70.17 0.91 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.063 0.935 . . . . 0.0 112.367 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.41 102.02 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 103.188 -2.893 . . . . 0.0 103.188 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.74 141.26 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 CA-C-O 122.065 0.936 . . . . 0.0 110.819 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.0 70.05 0.19 Allowed Glycine 0 N--CA 1.486 1.997 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.513 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.82 121.17 23.69 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ttt -86.81 117.17 25.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.712 -0.617 . . . . 0.0 110.566 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -97.58 104.81 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.57 86.29 1.54 Allowed Glycine 0 N--CA 1.489 2.185 0 O-C-N 122.196 -0.315 . . . . 0.0 113.559 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.14 -92.52 0.1 OUTLIER Glycine 0 N--CA 1.483 1.773 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -137.13 103.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 173.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.494 1.727 0 C-N-CA 123.271 0.628 . . . . 0.0 109.977 -179.783 . . . . . . . . 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 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.0 -47.69 23.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.31 143.2 30.53 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 122.522 1.154 . . . . 0.0 112.814 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.88 127.64 33.69 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.113 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -88.31 123.04 32.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.687 -0.633 . . . . 0.0 110.411 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -91.3 127.81 36.88 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.299 0.64 . . . . 0.0 110.666 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -80.65 -52.76 7.2 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 t -86.64 125.77 34.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.111 -0.993 . . . . 0.0 112.115 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.61 -169.34 42.06 Favored Glycine 0 N--CA 1.482 1.716 0 CA-C-O 122.673 1.152 . . . . 0.0 114.596 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -93.33 114.8 27.33 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.753 -0.724 . . . . 0.0 109.829 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.3 90.22 3.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -131.44 94.36 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -77.55 -52.74 8.56 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -88.91 123.41 33.24 Favored 'General case' 0 CA--C 1.564 1.508 0 C-N-CA 123.364 0.666 . . . . 0.0 110.209 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -82.93 122.94 28.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.844 -0.535 . . . . 0.0 110.86 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -86.89 66.04 9.26 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-O 122.583 1.182 . . . . 0.0 111.676 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.71 146.27 0.25 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.099 2.16 . . . . 0.0 106.541 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -63.77 100.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.355 -1.465 . . . . 0.0 112.363 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -72.13 134.91 46.01 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -174.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -138.96 118.4 12.87 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.43 79.02 9.71 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-O 121.863 0.839 . . . . 0.0 111.968 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.88 139.19 23.58 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.11 0.964 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.26 93.12 6.45 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 122.205 1.002 . . . . 0.0 110.145 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.11 92.68 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.84 84.82 0.37 Allowed Glycine 0 N--CA 1.486 2.026 0 O-C-N 121.414 -0.804 . . . . 0.0 112.389 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -126.22 24.9 6.76 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -153.61 91.27 1.46 Allowed 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -150.92 138.89 19.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.682 -0.636 . . . . 0.0 110.326 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.96 84.76 1.22 Allowed Glycine 0 N--CA 1.488 2.151 0 O-C-N 121.836 -0.54 . . . . 0.0 113.953 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.76 133.22 38.3 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 pt -86.7 114.08 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.889 -0.507 . . . . 0.0 109.956 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -83.83 140.77 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.919 . . . . 0.0 111.809 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 83.31 0.08 OUTLIER Glycine 0 N--CA 1.483 1.814 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.75 136.77 40.29 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 122.966 0.506 . . . . 0.0 111.579 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -92.47 116.67 29.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.597 -0.69 . . . . 0.0 109.723 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.42 102.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.32 -86.19 1.2 Allowed Glycine 0 N--CA 1.488 2.138 0 O-C-N 121.915 -0.49 . . . . 0.0 113.383 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.83 174.14 42.13 Favored Glycine 0 N--CA 1.482 1.766 0 CA-C-O 122.317 0.954 . . . . 0.0 114.693 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -93.44 111.85 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.712 177.338 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.73 131.16 34.38 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -92.71 114.56 27.15 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 121.428 0.632 . . . . 0.0 109.76 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -91.16 119.83 31.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.691 -0.631 . . . . 0.0 110.049 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -90.13 117.27 28.77 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.943 -0.473 . . . . 0.0 109.952 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -88.37 125.38 34.67 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.019 0.528 . . . . 0.0 110.41 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.38 136.74 35.73 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.121 0.962 . . . . 0.0 113.054 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -74.52 -32.95 62.65 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.24 86.42 0.08 OUTLIER Glycine 0 N--CA 1.481 1.673 0 CA-C-N 118.755 0.707 . . . . 0.0 111.491 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -126.19 105.7 9.02 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -134.65 92.0 2.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.92 102.85 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -87.03 -57.34 3.0 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -90.97 125.2 35.71 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.889 0.768 . . . . 0.0 110.845 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.4 115.62 27.71 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -89.97 69.43 7.42 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-O 122.291 1.044 . . . . 0.0 111.004 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.25 145.07 0.24 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 126.551 1.94 . . . . 0.0 107.027 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.263 10.8 p -70.9 91.83 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.68 -1.262 . . . . 0.0 111.676 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -81.23 123.86 28.82 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.406 0.683 . . . . 0.0 110.446 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.4 117.19 29.74 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 68.5 6.75 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 122.446 1.117 . . . . 0.0 113.438 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -156.3 146.68 21.55 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 125.061 1.344 . . . . 0.0 109.02 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -74.07 86.91 1.86 Allowed 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 122.578 1.18 . . . . 0.0 111.411 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -98.64 99.37 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.83 80.1 0.08 OUTLIER Glycine 0 N--CA 1.485 1.905 0 O-C-N 121.745 -0.597 . . . . 0.0 112.483 -173.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -121.47 169.21 10.86 Favored 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 123.779 0.831 . . . . 0.0 111.065 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.26 89.36 0.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.65 -1.281 . . . . 0.0 111.439 174.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -113.46 -61.64 1.71 Allowed 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 124.162 0.985 . . . . 0.0 110.745 -169.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.78 88.86 1.5 Allowed Glycine 0 N--CA 1.489 2.171 0 CA-C-N 119.329 0.968 . . . . 0.0 113.994 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.99 124.92 34.21 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 121.387 0.613 . . . . 0.0 112.413 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.36 100.01 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tp -81.23 139.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.229 -0.919 . . . . 0.0 111.679 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.47 -80.71 1.23 Allowed Glycine 0 N--CA 1.489 2.181 0 O-C-N 121.864 -0.522 . . . . 0.0 114.277 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.81 119.28 31.47 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.25 112.92 25.03 Favored 'General case' 0 CA--C 1.563 1.456 0 O-C-N 121.825 -0.547 . . . . 0.0 109.597 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.28 104.23 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.0 -88.04 0.07 OUTLIER Glycine 0 N--CA 1.483 1.818 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.54 85.29 0.07 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 m -141.49 108.63 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 CA--C 1.568 1.668 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.82 129.61 34.79 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 119.744 1.156 . . . . 0.0 113.136 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.77 108.71 6.32 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -143.68 121.31 11.82 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -133.21 130.68 39.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.763 -0.585 . . . . 0.0 110.664 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -133.47 124.68 27.46 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.16 125.83 35.22 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.515 0.674 . . . . 0.0 110.751 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -85.76 132.68 34.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.0 112.363 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -91.69 1.72 Allowed Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.558 -0.714 . . . . 0.0 113.516 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -89.62 112.57 23.84 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 122.792 0.437 . . . . 0.0 111.356 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.7 84.16 2.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.202 1.001 . . . . 0.0 109.851 176.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -146.57 115.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -82.73 -60.29 2.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -0.896 . . . . 0.0 113.11 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -85.39 121.64 28.4 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 119.255 0.934 . . . . 0.0 111.864 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.11 90.74 7.48 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.498 -0.752 . . . . 0.0 109.548 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -97.96 71.82 2.19 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.201 1.001 . . . . 0.0 109.676 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -162.72 127.39 3.13 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.34 105.11 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.039 -1.038 . . . . 0.0 112.113 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -73.73 135.18 43.6 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 121.499 -0.751 . . . . 0.0 111.958 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -88.8 116.91 27.42 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.195 0.522 . . . . 0.0 109.978 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.45 157.25 37.21 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.28 12.4 pt-20 -75.88 63.22 1.67 Allowed 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -160.9 98.19 1.19 Allowed 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.22 103.6 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.09 84.1 0.16 Allowed Glycine 0 N--CA 1.484 1.849 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.3 p -89.78 141.09 28.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.038 0.535 . . . . 0.0 112.079 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -77.16 88.72 3.63 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.65 0.738 . . . . 0.0 110.736 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -103.93 142.4 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.953 0.901 . . . . 0.0 111.918 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.38 -85.44 0.05 OUTLIER Glycine 0 N--CA 1.486 1.984 0 O-C-N 121.985 -0.447 . . . . 0.0 112.043 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.37 131.32 34.42 Favored 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -131.27 118.76 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -83.07 124.66 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.251 -0.906 . . . . 0.0 110.637 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.25 78.42 1.87 Allowed Glycine 0 N--CA 1.488 2.11 0 O-C-N 121.287 -0.883 . . . . 0.0 114.131 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.51 112.42 24.37 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -87.78 120.36 29.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.724 -0.61 . . . . 0.0 110.159 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.47 103.04 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.17 -89.31 0.07 OUTLIER Glycine 0 N--CA 1.484 1.868 0 O-C-N 121.933 -0.479 . . . . 0.0 112.157 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.25 85.71 1.55 Allowed Glycine 0 N--CA 1.487 2.084 0 CA-C-N 117.1 0.45 . . . . 0.0 113.971 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.88 91.29 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.435 0.636 . . . . 0.0 109.528 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.265 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.914 0 N-CA-C 112.242 -0.343 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -131.09 116.84 18.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -127.12 88.21 2.77 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.307 1.051 . . . . 0.0 109.473 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.95 110.44 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -86.97 -62.5 1.49 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.86 . . . . 0.0 112.513 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -92.7 119.34 31.99 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.07 0.85 . . . . 0.0 110.265 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.19 124.42 34.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -84.73 64.25 8.44 Favored 'General case' 0 CA--C 1.579 2.088 0 O-C-N 120.956 -1.09 . . . . 0.0 112.314 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.68 153.52 2.27 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 126.418 1.887 . . . . 0.0 107.854 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -70.08 92.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.082 -1.636 . . . . 0.0 111.213 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -86.82 91.39 8.63 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.54 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -92.85 108.95 20.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.38 66.83 8.15 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-O 122.219 1.009 . . . . 0.0 112.909 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 CA--C 1.565 1.554 0 C-N-CA 124.974 1.309 . . . . 0.0 109.532 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 113.983 0.353 . . . . 0.0 113.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -87.62 90.2 8.28 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.116 0.96 . . . . 0.0 111.1 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.04 91.93 5.02 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.68 95.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -80.3 -52.25 7.93 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -87.04 118.33 26.35 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 119.133 0.879 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -89.66 89.33 7.75 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 121.523 0.677 . . . . 0.0 109.951 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -96.37 75.72 2.93 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 122.173 0.987 . . . . 0.0 109.724 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -173.11 140.94 0.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.665 1.586 . . . . 0.0 107.294 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.281 10.0 p -78.12 90.14 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 120.667 -1.271 . . . . 0.0 110.805 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -78.72 136.53 37.44 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.531 0.681 . . . . 0.0 111.582 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.55 116.42 26.78 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.78 61.21 5.04 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 . . . . . 0 CA--C 1.566 1.571 0 C-N-CA 125.103 1.361 . . . . 0.0 108.538 179.541 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.46 104.11 16.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -135.72 92.58 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.08 108.99 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -84.59 -54.13 4.94 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.37 122.66 32.12 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 119.302 0.955 . . . . 0.0 110.649 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.97 136.8 32.8 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 121.989 0.899 . . . . 0.0 111.305 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -105.41 108.95 20.74 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 171.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 96.74 0.08 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 123.096 1.426 . . . . 0.0 113.744 -164.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.43 96.36 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 N-CA-C 102.019 -3.326 . . . . 0.0 102.019 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.79 124.06 25.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.981 -1.074 . . . . 0.0 111.384 -171.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.65 116.36 30.71 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.15 152.52 42.24 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.578 2.053 0 CA-C-O 122.764 1.268 . . . . 0.0 113.792 178.528 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.7 113.54 9.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.91 86.56 2.52 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.51 102.42 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.19 -54.71 5.5 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -98.76 121.9 41.3 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.924 0.784 . . . . 0.0 110.041 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.2 89.23 6.8 Favored 'General case' 0 CA--C 1.566 1.57 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -94.3 78.32 3.94 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.111 0.957 . . . . 0.0 110.087 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -169.6 137.98 1.84 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.132 1.373 . . . . 0.0 107.728 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.31 90.72 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.841 -1.162 . . . . 0.0 110.526 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -63.26 133.83 54.86 Favored 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -138.84 116.0 11.03 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.57 75.12 7.55 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 111.733 172.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.489 1.52 0 C-N-CA 123.738 0.815 . . . . 0.0 110.438 -179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -89.7 92.33 9.02 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.794 0.806 . . . . 0.0 111.214 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -126.97 92.14 3.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.94 113.88 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -80.3 -50.7 9.83 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.82 126.81 29.58 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 118.982 0.81 . . . . 0.0 109.15 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.06 130.45 35.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.401 -0.812 . . . . 0.0 111.606 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.278 20.3 pttp -86.8 58.95 5.36 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.661 1.219 . . . . 0.0 113.38 167.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.81 145.21 0.22 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 127.136 2.174 . . . . 0.0 106.61 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -69.44 126.67 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.094 -1.628 . . . . 0.0 111.422 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -66.91 117.25 8.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.486 -0.759 . . . . 0.0 111.507 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -92.84 112.92 25.05 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 117.76 19.23 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 122.153 -0.342 . . . . 0.0 110.635 169.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 122.325 1.059 . . . . 0.0 113.05 -175.649 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -89.55 116.77 27.95 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -134.89 93.88 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -137.99 112.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -81.7 -57.09 3.6 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -87.4 115.61 24.94 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 119.01 0.823 . . . . 0.0 110.684 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -86.72 135.14 33.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.936 -0.477 . . . . 0.0 110.945 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -80.94 72.2 7.94 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 123.0 1.381 . . . . 0.0 111.589 170.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -178.96 152.35 0.57 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 127.673 2.389 . . . . 0.0 105.871 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 m -59.6 104.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 119.829 -1.794 . . . . 0.0 112.79 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.65 126.93 31.83 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.339 0.655 . . . . 0.0 110.831 -174.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.44 114.56 26.98 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 154.37 36.22 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.283 13.1 pt-20 . . . . . 0 N--CA 1.499 2.01 0 CA-C-O 123.707 1.717 . . . . 0.0 115.304 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -94.48 119.93 33.94 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.743 0.417 . . . . 0.0 110.115 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -121.8 86.04 2.51 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 114.1 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.64 -54.48 5.84 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -87.14 126.88 35.07 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.979 0.809 . . . . 0.0 111.3 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -87.56 94.92 9.86 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.295 0.638 . . . . 0.0 109.956 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 69.25 5.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 122.188 0.994 . . . . 0.0 109.761 174.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tt -165.41 124.19 1.68 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.69 108.49 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.243 -0.91 . . . . 0.0 111.569 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -72.65 115.57 12.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.571 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -89.08 116.16 27.15 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.46 129.28 38.4 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 122.027 -0.421 . . . . 0.0 111.746 169.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 CA--C 1.572 1.819 0 CA-C-O 122.918 1.342 . . . . 0.0 112.96 -177.516 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -92.86 110.25 21.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.04 89.74 2.56 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 122.472 1.129 . . . . 0.0 109.018 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.22 103.75 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -83.45 -57.71 3.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -95.11 111.05 22.92 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.856 0.753 . . . . 0.0 109.145 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -93.3 94.43 8.75 Favored 'General case' 0 CA--C 1.563 1.443 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -92.7 75.66 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.499 1.142 . . . . 0.0 109.615 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -170.49 131.77 0.94 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.72 95.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -75.12 139.06 42.48 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 121.457 0.646 . . . . 0.0 112.101 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -86.8 116.83 25.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.798 -0.564 . . . . 0.0 110.22 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.31 152.88 41.83 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 122.393 1.092 . . . . 0.0 112.481 178.267 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.718 -0.153 . . . . 0.0 112.718 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -83.47 89.81 7.11 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.613 0.721 . . . . 0.0 111.483 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.59 86.63 2.44 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.286 1.041 . . . . 0.0 110.3 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.42 106.57 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -84.67 -55.3 4.18 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.129 -0.982 . . . . 0.0 113.242 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.04 126.51 34.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 119.116 0.871 . . . . 0.0 111.104 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -91.59 92.9 8.69 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -92.63 70.54 4.91 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.37 1.081 . . . . 0.0 110.064 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.42 126.33 2.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 95.81 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 O-C-N 121.366 -0.834 . . . . 0.0 112.013 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -78.87 112.01 15.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.548 -0.72 . . . . 0.0 109.915 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -88.34 112.5 22.92 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.381 0.61 . . . . 0.0 110.289 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.36 67.68 9.55 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 121.999 0.904 . . . . 0.0 112.017 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 124.331 1.052 . . . . 0.0 109.753 -179.689 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 CA-C-O 122.673 1.152 . . . . 0.0 114.596 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -93.33 114.8 27.33 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.753 -0.724 . . . . 0.0 109.829 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.3 90.22 3.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -131.44 94.36 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -77.55 -52.74 8.56 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -88.91 123.41 33.24 Favored 'General case' 0 CA--C 1.564 1.508 0 C-N-CA 123.364 0.666 . . . . 0.0 110.209 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -82.93 122.94 28.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.844 -0.535 . . . . 0.0 110.86 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -86.89 66.04 9.26 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-O 122.583 1.182 . . . . 0.0 111.676 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.71 146.27 0.25 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.099 2.16 . . . . 0.0 106.541 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -63.77 100.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.355 -1.465 . . . . 0.0 112.363 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -72.13 134.91 46.01 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -174.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -138.96 118.4 12.87 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.43 79.02 9.71 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-O 121.863 0.839 . . . . 0.0 111.968 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.489 1.495 0 C-N-CA 124.11 0.964 . . . . 0.0 110.141 179.56 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -126.19 105.7 9.02 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -134.65 92.0 2.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.92 102.85 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -87.03 -57.34 3.0 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -90.97 125.2 35.71 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.889 0.768 . . . . 0.0 110.845 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.4 115.62 27.71 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -89.97 69.43 7.42 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-O 122.291 1.044 . . . . 0.0 111.004 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.25 145.07 0.24 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 126.551 1.94 . . . . 0.0 107.027 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.263 10.8 p -70.9 91.83 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.68 -1.262 . . . . 0.0 111.676 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -81.23 123.86 28.82 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.406 0.683 . . . . 0.0 110.446 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.4 117.19 29.74 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 68.5 6.75 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 122.446 1.117 . . . . 0.0 113.438 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.565 1.536 0 C-N-CA 125.061 1.344 . . . . 0.0 109.02 178.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 113.516 0.167 . . . . 0.0 113.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -89.62 112.57 23.84 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 122.792 0.437 . . . . 0.0 111.356 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.7 84.16 2.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.202 1.001 . . . . 0.0 109.851 176.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -146.57 115.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -82.73 -60.29 2.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -0.896 . . . . 0.0 113.11 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -85.39 121.64 28.4 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 119.255 0.934 . . . . 0.0 111.864 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.11 90.74 7.48 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.498 -0.752 . . . . 0.0 109.548 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -97.96 71.82 2.19 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.201 1.001 . . . . 0.0 109.676 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -162.72 127.39 3.13 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.34 105.11 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.039 -1.038 . . . . 0.0 112.113 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -73.73 135.18 43.6 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 121.499 -0.751 . . . . 0.0 111.958 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -88.8 116.91 27.42 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.195 0.522 . . . . 0.0 109.978 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.45 157.25 37.21 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.28 12.4 pt-20 . . . . . 0 CA--C 1.579 2.07 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.564 1.518 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.3 130.33 34.55 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -92.24 114.95 27.64 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.455 0.645 . . . . 0.0 109.728 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -90.15 119.77 30.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.581 -0.699 . . . . 0.0 109.875 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -131.66 140.96 49.48 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.239 0.615 . . . . 0.0 111.37 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -121.66 115.46 22.77 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -133.25 -55.01 0.91 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 123.116 0.566 . . . . 0.0 111.926 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.7 p -126.48 128.72 47.38 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 119.583 1.083 . . . . 0.0 111.389 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.82 -85.19 0.06 OUTLIER Glycine 0 N--CA 1.485 1.914 0 O-C-N 122.011 -0.431 . . . . 0.0 112.242 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -131.09 116.84 18.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -127.12 88.21 2.77 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.307 1.051 . . . . 0.0 109.473 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.95 110.44 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -86.97 -62.5 1.49 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.323 -0.86 . . . . 0.0 112.513 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -92.7 119.34 31.99 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 119.07 0.85 . . . . 0.0 110.265 175.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -89.19 124.42 34.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -84.73 64.25 8.44 Favored 'General case' 0 CA--C 1.579 2.088 0 O-C-N 120.956 -1.09 . . . . 0.0 112.314 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.68 153.52 2.27 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 126.418 1.887 . . . . 0.0 107.854 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -70.08 92.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.082 -1.636 . . . . 0.0 111.213 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -86.82 91.39 8.63 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.54 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -92.85 108.95 20.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.38 66.83 8.15 Favored 'General case' 0 CA--C 1.57 1.745 0 CA-C-O 122.219 1.009 . . . . 0.0 112.909 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -157.53 146.15 19.44 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.974 1.309 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -76.27 102.79 5.99 Favored 'General case' 0 CA--C 1.566 1.566 0 O-C-N 121.18 -0.95 . . . . 0.0 110.734 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -85.73 125.23 40.56 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 CA-C-O 121.659 0.742 . . . . 0.0 110.982 -176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.23 111.78 0.31 Allowed Glycine 0 N--CA 1.482 1.71 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 98.7 p -82.26 132.88 35.23 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -80.99 90.15 5.95 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 121.611 0.72 . . . . 0.0 111.492 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -81.89 -51.98 7.55 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 -86.25 1.5 Allowed Glycine 0 N--CA 1.489 2.2 0 CA-C-N 119.698 1.136 . . . . 0.0 113.617 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.33 133.45 35.23 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 tt -126.18 142.86 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 123.552 0.741 . . . . 0.0 110.683 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 tp -76.91 140.08 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.181 -0.949 . . . . 0.0 112.593 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.09 80.82 0.05 OUTLIER Glycine 0 N--CA 1.483 1.823 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.1 tp -89.57 112.28 23.44 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.3 ptp -132.61 99.97 4.81 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.04 94.34 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.95 -88.97 1.56 Allowed Glycine 0 N--CA 1.488 2.14 0 O-C-N 121.723 -0.611 . . . . 0.0 113.07 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.66 -91.98 2.2 Favored Glycine 0 N--CA 1.489 2.184 0 CA-C-N 116.867 0.334 . . . . 0.0 113.112 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -92.33 115.22 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.494 1.731 0 C-N-CA 123.319 0.648 . . . . 0.0 110.006 177.07 . . . . . . . . 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 . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.85 130.51 34.92 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 120.028 1.285 . . . . 0.0 112.987 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -131.86 113.44 13.48 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -132.68 115.77 15.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -90.18 127.5 36.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.623 -0.673 . . . . 0.0 110.461 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -68.45 -41.0 80.89 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -80.72 -48.87 11.94 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 m -70.29 -32.07 69.69 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.33 86.68 1.5 Allowed Glycine 0 N--CA 1.485 1.953 0 CA-C-N 119.735 1.152 . . . . 0.0 113.983 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -87.62 90.2 8.28 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 122.116 0.96 . . . . 0.0 111.1 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.04 91.93 5.02 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.68 95.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -80.3 -52.25 7.93 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -87.04 118.33 26.35 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 119.133 0.879 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -89.66 89.33 7.75 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-O 121.523 0.677 . . . . 0.0 109.951 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -96.37 75.72 2.93 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 122.173 0.987 . . . . 0.0 109.724 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -173.11 140.94 0.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.665 1.586 . . . . 0.0 107.294 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.281 10.0 p -78.12 90.14 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 120.667 -1.271 . . . . 0.0 110.805 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -78.72 136.53 37.44 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 121.531 0.681 . . . . 0.0 111.582 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.55 116.42 26.78 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.78 61.21 5.04 Favored 'General case' 0 CA--C 1.571 1.757 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -139.18 150.01 45.08 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 125.103 1.361 . . . . 0.0 108.538 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.73 87.83 1.72 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.769 -1.207 . . . . 0.0 111.235 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.92 111.91 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 C-N-CA 123.959 0.904 . . . . 0.0 108.679 -176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.96 -82.73 1.17 Allowed Glycine 0 N--CA 1.487 2.095 0 O-C-N 121.689 -0.632 . . . . 0.0 113.753 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -86.04 135.12 33.76 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -77.85 101.77 6.93 Favored 'General case' 0 CA--C 1.569 1.68 0 O-C-N 121.588 -0.695 . . . . 0.0 111.878 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -134.13 140.61 46.7 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.612 0.72 . . . . 0.0 110.939 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.5 76.55 0.27 Allowed Glycine 0 N--CA 1.486 1.981 0 CA-C-N 116.218 -0.447 . . . . 0.0 112.279 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.84 131.02 34.39 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.62 97.0 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.282 2.7 pp -138.2 -40.64 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.389 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.96 79.9 0.06 OUTLIER Glycine 0 N--CA 1.486 2.024 0 CA-C-N 119.603 1.092 . . . . 0.0 112.161 -175.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 tp -128.4 113.04 15.06 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmt -86.64 122.98 31.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.638 -0.664 . . . . 0.0 110.455 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.8 p -89.45 94.79 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 CA-C-O 121.785 0.802 . . . . 0.0 110.014 177.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.42 87.25 0.08 OUTLIER Glycine 0 N--CA 1.485 1.918 0 O-C-N 121.703 -0.623 . . . . 0.0 112.245 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.3 -91.46 1.71 Allowed Glycine 0 N--CA 1.486 2.014 0 CA-C-N 116.798 0.299 . . . . 0.0 113.513 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -130.04 -81.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 176.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 173.288 . . . . . . . . 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 . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.556 1.207 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.59 131.27 34.38 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -125.93 113.09 16.72 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -90.3 122.42 33.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.596 -0.69 . . . . 0.0 109.916 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -126.15 117.01 22.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -86.3 114.5 23.15 Favored 'General case' 0 CA--C 1.566 1.567 0 O-C-N 121.789 -0.569 . . . . 0.0 111.382 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -127.46 -66.59 0.87 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.202 0.601 . . . . 0.0 110.45 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.2 p -133.96 122.69 23.44 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.726 0.811 . . . . 0.0 110.382 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.54 86.91 0.06 OUTLIER Glycine 0 N--CA 1.484 1.889 0 O-C-N 121.438 -0.789 . . . . 0.0 111.711 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -94.46 104.11 16.08 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -135.72 92.58 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.08 108.99 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -84.59 -54.13 4.94 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -88.37 122.66 32.12 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 119.302 0.955 . . . . 0.0 110.649 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.97 136.8 32.8 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 121.989 0.899 . . . . 0.0 111.305 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -105.41 108.95 20.74 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 171.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.38 96.74 0.08 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 123.096 1.426 . . . . 0.0 113.744 -164.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.0 m -144.43 96.36 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 N-CA-C 102.019 -3.326 . . . . 0.0 102.019 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.79 124.06 25.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.981 -1.074 . . . . 0.0 111.384 -171.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -98.65 116.36 30.71 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.15 152.52 42.24 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.87 67.43 2.26 Favored 'General case' 0 CA--C 1.578 2.053 0 CA-C-O 122.764 1.268 . . . . 0.0 113.792 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -170.46 96.69 0.25 Allowed 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.2 t -142.73 134.15 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.54 78.81 1.43 Allowed Glycine 0 N--CA 1.487 2.074 0 O-C-N 121.695 -0.628 . . . . 0.0 113.171 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -130.97 67.9 1.5 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 122.337 1.065 . . . . 0.0 111.009 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -168.43 -50.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.012 1.325 . . . . 0.0 110.482 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -70.71 148.89 47.52 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.85 -93.7 0.1 OUTLIER Glycine 0 N--CA 1.485 1.963 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.79 130.52 41.93 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.379 0.671 . . . . 0.0 110.834 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -106.64 94.83 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.261 7.3 pt -140.75 -57.22 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 C-N-CA 123.609 0.764 . . . . 0.0 111.707 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.17 -88.18 0.07 OUTLIER Glycine 0 N--CA 1.485 1.956 0 CA-C-N 119.476 1.034 . . . . 0.0 112.342 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.33 138.29 32.97 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-O 121.289 0.566 . . . . 0.0 111.184 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -91.88 115.75 28.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.499 -0.75 . . . . 0.0 109.987 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.3 98.17 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 CA-C-O 121.785 0.802 . . . . 0.0 109.775 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.19 86.82 0.08 OUTLIER Glycine 0 N--CA 1.485 1.911 0 O-C-N 121.641 -0.662 . . . . 0.0 112.031 -174.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.83 87.54 0.09 OUTLIER Glycine 0 N--CA 1.483 1.801 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.303 8.6 p -133.26 -63.73 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.514 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.492 1.669 0 CA-C-N 119.507 1.048 . . . . 0.0 110.021 173.856 . . . . . . . . 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 . . . . . . . . . . . . . 12.4 t70 . . . . . 0 CA--C 1.571 1.765 0 CA-C-O 118.441 -0.79 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.09 -52.01 1.87 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -85.12 133.53 34.21 Favored 'General case' 0 CA--C 1.566 1.592 0 CA-C-N 119.639 1.109 . . . . 0.0 111.541 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -89.5 123.69 33.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.741 -0.599 . . . . 0.0 110.379 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -125.49 115.8 20.8 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -86.72 120.35 27.93 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 122.994 0.518 . . . . 0.0 111.401 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -90.66 118.0 29.75 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.398 1.094 . . . . 0.0 111.009 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -88.19 124.96 34.35 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.225 -0.922 . . . . 0.0 112.291 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.21 -97.49 0.15 Allowed Glycine 0 N--CA 1.481 1.678 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -138.7 113.54 9.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -126.91 86.56 2.52 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.51 102.42 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.19 -54.71 5.5 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -98.76 121.9 41.3 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 118.924 0.784 . . . . 0.0 110.041 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.2 89.23 6.8 Favored 'General case' 0 CA--C 1.566 1.57 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -94.3 78.32 3.94 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.111 0.957 . . . . 0.0 110.087 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -169.6 137.98 1.84 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 125.132 1.373 . . . . 0.0 107.728 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -74.31 90.72 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.841 -1.162 . . . . 0.0 110.526 174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -63.26 133.83 54.86 Favored 'General case' 0 CA--C 1.566 1.582 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -138.84 116.0 11.03 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.57 75.12 7.55 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 111.733 172.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -99.19 138.1 36.77 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.738 0.815 . . . . 0.0 110.438 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -83.83 95.22 8.39 Favored 'General case' 0 CA--C 1.568 1.653 0 CA-C-O 122.027 0.918 . . . . 0.0 109.534 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.51 113.2 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.22 64.95 4.17 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 114.999 0.76 . . . . 0.0 114.999 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -84.87 139.46 31.86 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.518 0.727 . . . . 0.0 111.435 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -72.48 82.44 1.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 122.245 1.021 . . . . 0.0 112.958 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -86.68 -51.62 6.02 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 123.467 0.707 . . . . 0.0 112.818 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.27 -87.25 1.45 Allowed Glycine 0 N--CA 1.487 2.072 0 CA-C-N 119.36 0.982 . . . . 0.0 113.243 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 129.68 35.0 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.3 mt -132.23 97.45 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 pt -141.91 123.41 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.67 78.92 1.78 Allowed Glycine 0 N--CA 1.489 2.189 0 O-C-N 121.01 -1.056 . . . . 0.0 114.163 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -127.82 110.57 12.72 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.0 ttm -127.17 111.44 13.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.6 94.38 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.551 -0.718 . . . . 0.0 110.011 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.12 85.62 1.2 Allowed Glycine 0 N--CA 1.489 2.181 0 O-C-N 121.766 -0.584 . . . . 0.0 114.022 -172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.78 -87.38 1.47 Allowed Glycine 0 N--CA 1.49 2.262 0 CA-C-N 117.225 0.512 . . . . 0.0 113.814 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.8 t -105.03 99.69 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 106.02 -1.845 . . . . 0.0 106.02 172.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 104.154 -2.536 . . . . 0.0 104.154 179.041 . . . . . . . . 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 . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.6 -46.88 20.81 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -83.17 143.64 30.36 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.675 1.226 . . . . 0.0 112.849 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.86 126.15 33.22 Favored 'General case' 0 CA--C 1.563 1.45 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.932 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -127.91 115.52 18.69 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -90.34 122.4 33.19 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.09 0.556 . . . . 0.0 109.974 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -78.14 -54.59 6.08 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.9 t -86.09 132.38 34.05 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 121.649 0.738 . . . . 0.0 111.96 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.46 -90.44 0.08 OUTLIER Glycine 0 N--CA 1.483 1.832 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -89.7 92.33 9.02 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.794 0.806 . . . . 0.0 111.214 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -126.97 92.14 3.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.94 113.88 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -80.3 -50.7 9.83 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.82 126.81 29.58 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 118.982 0.81 . . . . 0.0 109.15 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.06 130.45 35.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.401 -0.812 . . . . 0.0 111.606 175.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.278 20.3 pttp -86.8 58.95 5.36 Favored 'General case' 0 N--CA 1.501 2.096 0 CA-C-O 122.661 1.219 . . . . 0.0 113.38 167.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.81 145.21 0.22 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 127.136 2.174 . . . . 0.0 106.61 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.7 m -69.44 126.67 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.094 -1.628 . . . . 0.0 111.422 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -66.91 117.25 8.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.486 -0.759 . . . . 0.0 111.507 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -92.84 112.92 25.05 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 117.76 19.23 Favored 'General case' 0 CA--C 1.562 1.406 0 O-C-N 122.153 -0.342 . . . . 0.0 110.635 169.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -72.44 87.79 1.19 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 122.325 1.059 . . . . 0.0 113.05 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -153.62 92.62 1.59 Allowed 'General case' 0 CA--C 1.562 1.416 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.31 97.32 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.34 -90.98 1.69 Allowed Glycine 0 N--CA 1.488 2.123 0 O-C-N 121.483 -0.761 . . . . 0.0 114.164 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.0 p -87.42 133.24 33.76 Favored 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -86.35 93.6 9.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.504 -0.748 . . . . 0.0 109.458 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -85.59 -62.51 1.51 Allowed 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.055 0.542 . . . . 0.0 111.996 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.53 -89.59 1.41 Allowed Glycine 0 N--CA 1.488 2.161 0 CA-C-N 119.507 1.049 . . . . 0.0 114.004 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.38 134.68 33.7 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.278 7.3 tt -84.41 85.99 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.349 -0.844 . . . . 0.0 110.685 175.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 pt -87.1 129.35 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.359 -0.838 . . . . 0.0 110.423 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.76 79.9 1.79 Allowed Glycine 0 N--CA 1.487 2.046 0 O-C-N 121.408 -0.807 . . . . 0.0 113.979 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.3 tp -90.55 116.07 28.17 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.128 0.571 . . . . 0.0 109.896 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mmm -133.16 120.96 21.88 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.91 93.43 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.91 0.862 . . . . 0.0 110.153 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.65 85.53 0.07 OUTLIER Glycine 0 N--CA 1.484 1.898 0 O-C-N 121.611 -0.68 . . . . 0.0 112.227 -174.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.24 85.78 0.06 OUTLIER Glycine 0 N--CA 1.483 1.786 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -91.24 90.01 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.638 0.732 . . . . 0.0 109.677 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 179.225 . . . . . . . . 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 . . . . . . . . . . . . . 15.3 t70 . . . . . 0 CA--C 1.568 1.637 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.31 124.08 32.28 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.704 1.138 . . . . 0.0 112.352 176.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -125.65 93.46 3.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -97.85 97.29 8.84 Favored 'General case' 0 CA--C 1.564 1.488 0 CA-C-O 121.914 0.864 . . . . 0.0 109.67 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -131.67 116.18 17.0 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -89.13 100.76 13.47 Favored 'General case' 0 CA--C 1.564 1.502 0 O-C-N 121.673 -0.642 . . . . 0.0 109.728 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -134.19 -56.09 0.86 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 112.648 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -84.61 132.35 34.5 Favored 'General case' 0 CA--C 1.563 1.456 0 O-C-N 121.281 -0.887 . . . . 0.0 112.012 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.79 -78.7 1.14 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -89.55 116.77 27.95 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -134.89 93.88 3.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.1 -1.445 . . . . 0.0 107.1 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 m -137.99 112.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -81.7 -57.09 3.6 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -87.4 115.61 24.94 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 119.01 0.823 . . . . 0.0 110.684 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -86.72 135.14 33.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.936 -0.477 . . . . 0.0 110.945 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -80.94 72.2 7.94 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 123.0 1.381 . . . . 0.0 111.589 170.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 pp -178.96 152.35 0.57 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 127.673 2.389 . . . . 0.0 105.871 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 m -59.6 104.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 119.829 -1.794 . . . . 0.0 112.79 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -76.65 126.93 31.83 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.339 0.655 . . . . 0.0 110.831 -174.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -93.44 114.56 26.98 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.83 154.37 36.22 Favored 'General case' 0 CA--C 1.566 1.564 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.283 13.1 pt-20 -75.78 65.69 1.95 Allowed 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 123.707 1.717 . . . . 0.0 115.304 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -170.93 98.72 0.22 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 64.8 t -136.44 99.19 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 N-CA-C 104.554 -2.387 . . . . 0.0 104.554 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.44 120.85 5.77 Favored Glycine 0 N--CA 1.482 1.756 0 O-C-N 122.101 -0.374 . . . . 0.0 112.748 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -80.16 145.98 32.04 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -73.17 87.17 1.42 Allowed 'General case' 0 CA--C 1.574 1.886 0 CA-C-O 122.076 0.941 . . . . 0.0 111.783 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -148.8 130.94 15.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.367 1.067 . . . . 0.0 109.44 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.83 78.93 0.05 OUTLIER Glycine 0 N--CA 1.483 1.809 0 O-C-N 121.483 -0.761 . . . . 0.0 112.864 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.17 113.71 25.75 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.18 0.592 . . . . 0.0 110.313 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 pt -143.72 116.68 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 176.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -81.14 140.45 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 120.82 -1.175 . . . . 0.0 112.082 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.54 81.13 0.08 OUTLIER Glycine 0 N--CA 1.483 1.83 0 N-CA-C 111.706 -0.557 . . . . 0.0 111.706 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -88.22 116.95 26.78 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.7 ptp -131.05 106.56 8.46 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.51 0.672 . . . . 0.0 109.207 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.3 t -137.52 104.31 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 104.722 -2.325 . . . . 0.0 104.722 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.43 -88.76 0.07 OUTLIER Glycine 0 N--CA 1.484 1.891 0 O-C-N 121.845 -0.534 . . . . 0.0 111.878 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.7 87.29 0.08 OUTLIER Glycine 0 N--CA 1.482 1.761 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.39 94.84 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.309 . . . . . . . . 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 . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 CA--C 1.569 1.689 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.55 -46.95 24.19 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -128.13 114.89 17.59 Favored 'General case' 0 CA--C 1.561 1.399 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -92.79 115.91 28.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.456 -0.778 . . . . 0.0 109.482 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -130.97 120.05 22.95 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -81.32 134.46 35.58 Favored 'General case' 0 CA--C 1.566 1.56 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -91.0 119.36 31.12 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.699 0.762 . . . . 0.0 109.839 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 m -87.65 131.02 34.58 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.694 -0.629 . . . . 0.0 111.964 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.41 -88.8 0.07 OUTLIER Glycine 0 N--CA 1.484 1.891 0 O-C-N 121.858 -0.526 . . . . 0.0 112.196 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -94.48 119.93 33.94 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.743 0.417 . . . . 0.0 110.115 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -121.8 86.04 2.51 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.7 114.1 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -79.64 -54.48 5.84 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -87.14 126.88 35.07 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.979 0.809 . . . . 0.0 111.3 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -87.56 94.92 9.86 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.295 0.638 . . . . 0.0 109.956 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.86 69.25 5.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 122.188 0.994 . . . . 0.0 109.761 174.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tt -165.41 124.19 1.68 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.69 108.49 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.243 -0.91 . . . . 0.0 111.569 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -72.65 115.57 12.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.336 -0.852 . . . . 0.0 110.571 -177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -89.08 116.16 27.15 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.46 129.28 38.4 Favored 'General case' 0 CA--C 1.563 1.446 0 O-C-N 122.027 -0.421 . . . . 0.0 111.746 169.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.39 79.31 1.38 Allowed 'General case' 0 CA--C 1.572 1.819 0 CA-C-O 122.918 1.342 . . . . 0.0 112.96 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -155.4 100.91 2.16 Favored 'General case' 0 CA--C 1.562 1.434 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.34 117.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.59 -77.15 1.13 Allowed Glycine 0 N--CA 1.487 2.098 0 N-CA-C 114.629 0.611 . . . . 0.0 114.629 -175.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.1 m -82.63 141.51 32.46 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -76.61 89.77 3.33 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-O 121.924 0.869 . . . . 0.0 111.045 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.49 142.37 27.73 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 123.656 0.782 . . . . 0.0 111.129 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.55 -84.04 0.06 OUTLIER Glycine 0 N--CA 1.484 1.888 0 O-C-N 121.741 -0.599 . . . . 0.0 112.086 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.91 35.97 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mt -95.83 97.79 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 175.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 pt -141.25 126.0 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.96 78.79 1.92 Allowed Glycine 0 N--CA 1.49 2.267 0 O-C-N 120.988 -1.07 . . . . 0.0 114.281 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.34 109.39 11.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 tpp -130.25 111.98 12.91 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.77 103.82 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 104.867 -2.271 . . . . 0.0 104.867 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.49 85.02 1.31 Allowed Glycine 0 N--CA 1.49 2.236 0 O-C-N 121.906 -0.496 . . . . 0.0 113.896 -173.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.37 -92.43 0.09 OUTLIER Glycine 0 N--CA 1.483 1.804 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.3 t -137.34 101.12 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 104.126 -2.546 . . . . 0.0 104.126 178.954 . . . . . . . . 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 . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.67 -59.84 1.97 Allowed 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.7 95.45 3.06 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 119.409 1.004 . . . . 0.0 110.098 174.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -139.0 118.47 12.89 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -89.76 121.34 31.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.353 -0.842 . . . . 0.0 110.001 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -81.85 -56.2 4.13 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -89.65 122.31 32.66 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 123.329 0.652 . . . . 0.0 110.226 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m -128.11 126.23 40.73 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.35 0.66 . . . . 0.0 110.105 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.71 105.64 0.18 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -176.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -92.86 110.25 21.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.04 89.74 2.56 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 122.472 1.129 . . . . 0.0 109.018 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -130.22 103.75 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -83.45 -57.71 3.13 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -95.11 111.05 22.92 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 118.856 0.753 . . . . 0.0 109.145 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -93.3 94.43 8.75 Favored 'General case' 0 CA--C 1.563 1.443 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -92.7 75.66 4.98 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-O 122.499 1.142 . . . . 0.0 109.615 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -170.49 131.77 0.94 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.72 95.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -75.12 139.06 42.48 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 121.457 0.646 . . . . 0.0 112.101 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -86.8 116.83 25.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.798 -0.564 . . . . 0.0 110.22 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.31 152.88 41.83 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.26 87.82 1.13 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.393 1.092 . . . . 0.0 112.481 178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.53 -41.58 0.33 Allowed 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.532 1.133 . . . . 0.0 112.246 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.83 123.79 57.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.636 0 O-C-N 121.144 -0.972 . . . . 0.0 109.166 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.79 83.18 0.14 Allowed Glycine 0 N--CA 1.486 2.01 0 O-C-N 121.6 -0.688 . . . . 0.0 111.923 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.8 p -124.23 133.74 53.44 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.689 0.796 . . . . 0.0 110.9 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.3 96.33 9.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 0.0 109.471 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -88.48 141.74 28.29 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.712 0.768 . . . . 0.0 111.316 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.43 -91.95 0.12 Allowed Glycine 0 N--CA 1.484 1.873 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.29 125.47 40.93 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.302 0.641 . . . . 0.0 110.565 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 pt -90.76 113.74 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.562 -0.711 . . . . 0.0 109.96 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 pt -87.73 122.3 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.177 -0.952 . . . . 0.0 110.299 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.17 77.98 1.81 Allowed Glycine 0 N--CA 1.489 2.184 0 O-C-N 121.263 -0.898 . . . . 0.0 114.09 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.3 mt -137.16 118.55 14.7 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.7 mtt -89.05 118.95 29.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.666 -0.646 . . . . 0.0 110.144 175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.83 102.91 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.4 -88.35 0.07 OUTLIER Glycine 0 N--CA 1.484 1.873 0 O-C-N 121.974 -0.454 . . . . 0.0 112.44 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.43 -85.98 1.29 Allowed Glycine 0 N--CA 1.488 2.158 0 N-CA-C 114.245 0.458 . . . . 0.0 114.245 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.57 115.57 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 122.982 0.513 . . . . 0.0 110.158 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.497 1.883 0 C-N-CA 123.239 0.616 . . . . 0.0 110.339 176.191 . . . . . . . . 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 . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.17 -45.32 27.12 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.59 122.07 30.82 Favored 'General case' 0 CA--C 1.566 1.567 0 CA-C-N 119.062 0.846 . . . . 0.0 110.876 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -86.87 122.23 30.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.568 -0.707 . . . . 0.0 110.408 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -85.76 122.36 29.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.626 -0.671 . . . . 0.0 110.258 176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -127.05 115.36 19.07 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -138.02 114.94 10.76 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.1 t -87.96 125.3 34.44 Favored 'General case' 0 CA--C 1.56 1.36 0 O-C-N 121.186 -0.946 . . . . 0.0 111.591 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.91 117.75 5.09 Favored Glycine 0 N--CA 1.484 1.848 0 O-C-N 122.122 -0.361 . . . . 0.0 112.718 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -83.47 89.81 7.11 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.613 0.721 . . . . 0.0 111.483 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.59 86.63 2.44 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 122.286 1.041 . . . . 0.0 110.3 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.42 106.57 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -84.67 -55.3 4.18 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.129 -0.982 . . . . 0.0 113.242 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.04 126.51 34.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 119.116 0.871 . . . . 0.0 111.104 176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -91.59 92.9 8.69 Favored 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -92.63 70.54 4.91 Favored 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 122.37 1.081 . . . . 0.0 110.064 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -164.42 126.33 2.27 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 -177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 95.81 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 O-C-N 121.366 -0.834 . . . . 0.0 112.013 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -78.87 112.01 15.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.548 -0.72 . . . . 0.0 109.915 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -88.34 112.5 22.92 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-O 121.381 0.61 . . . . 0.0 110.289 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.36 67.68 9.55 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 121.999 0.904 . . . . 0.0 112.017 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -112.02 140.72 46.47 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.331 1.052 . . . . 0.0 109.753 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -78.09 87.23 4.22 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.299 1.047 . . . . 0.0 110.856 174.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.7 p -88.24 148.81 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.705 0 CA-C-O 122.17 0.986 . . . . 0.0 111.665 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.57 121.9 5.64 Favored Glycine 0 CA--C 1.545 1.907 0 O-C-N 121.292 -0.88 . . . . 0.0 114.08 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -73.79 155.85 38.43 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -67.45 98.1 0.63 Allowed 'General case' 0 CA--C 1.572 1.816 0 O-C-N 121.382 -0.824 . . . . 0.0 112.027 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -85.56 145.75 27.22 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 123.494 0.718 . . . . 0.0 111.064 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.75 -72.25 0.89 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.99 70.17 0.91 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 122.063 0.935 . . . . 0.0 112.367 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.9 mt -144.41 102.02 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 103.188 -2.893 . . . . 0.0 103.188 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.74 141.26 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 CA-C-O 122.065 0.936 . . . . 0.0 110.819 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.0 70.05 0.19 Allowed Glycine 0 N--CA 1.486 1.997 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.513 176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.82 121.17 23.69 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.3 ttt -86.81 117.17 25.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.712 -0.617 . . . . 0.0 110.566 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.9 t -97.58 104.81 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.57 86.29 1.54 Allowed Glycine 0 N--CA 1.489 2.185 0 O-C-N 122.196 -0.315 . . . . 0.0 113.559 -173.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.14 -92.52 0.1 OUTLIER Glycine 0 N--CA 1.483 1.773 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -137.13 103.39 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 173.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.494 1.727 0 C-N-CA 123.271 0.628 . . . . 0.0 109.977 -179.783 . . . . . . . . 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 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.0 -47.69 23.94 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 116.555 2.057 . . . . 0.0 116.555 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.31 143.2 30.53 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 122.522 1.154 . . . . 0.0 112.814 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.88 127.64 33.69 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.113 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -88.31 123.04 32.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.687 -0.633 . . . . 0.0 110.411 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -91.3 127.81 36.88 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.299 0.64 . . . . 0.0 110.666 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -80.65 -52.76 7.2 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 t -86.64 125.77 34.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.111 -0.993 . . . . 0.0 112.115 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.61 -169.34 42.06 Favored Glycine 0 N--CA 1.482 1.716 0 CA-C-O 122.673 1.152 . . . . 0.0 114.596 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -93.33 114.8 27.33 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.753 -0.724 . . . . 0.0 109.829 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -125.3 90.22 3.19 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -131.44 94.36 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -77.55 -52.74 8.56 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -88.91 123.41 33.24 Favored 'General case' 0 CA--C 1.564 1.508 0 C-N-CA 123.364 0.666 . . . . 0.0 110.209 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -82.93 122.94 28.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.844 -0.535 . . . . 0.0 110.86 175.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -86.89 66.04 9.26 Favored 'General case' 0 CA--C 1.576 1.947 0 CA-C-O 122.583 1.182 . . . . 0.0 111.676 172.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.71 146.27 0.25 Allowed 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 127.099 2.16 . . . . 0.0 106.541 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -63.77 100.54 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 120.355 -1.465 . . . . 0.0 112.363 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -72.13 134.91 46.01 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 -174.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -138.96 118.4 12.87 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.43 79.02 9.71 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-O 121.863 0.839 . . . . 0.0 111.968 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -147.88 139.19 23.58 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.11 0.964 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.26 93.12 6.45 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 122.205 1.002 . . . . 0.0 110.145 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.11 92.68 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.84 84.82 0.37 Allowed Glycine 0 N--CA 1.486 2.026 0 O-C-N 121.414 -0.804 . . . . 0.0 112.389 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.7 m -126.22 24.9 6.76 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -153.61 91.27 1.46 Allowed 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -150.92 138.89 19.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.682 -0.636 . . . . 0.0 110.326 -177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.96 84.76 1.22 Allowed Glycine 0 N--CA 1.488 2.151 0 O-C-N 121.836 -0.54 . . . . 0.0 113.953 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.76 133.22 38.3 Favored 'General case' 0 CA--C 1.559 1.319 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 pt -86.7 114.08 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.889 -0.507 . . . . 0.0 109.956 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 tp -83.83 140.77 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.23 -0.919 . . . . 0.0 111.809 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.24 83.31 0.08 OUTLIER Glycine 0 N--CA 1.483 1.814 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.75 136.77 40.29 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 122.966 0.506 . . . . 0.0 111.579 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -92.47 116.67 29.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.597 -0.69 . . . . 0.0 109.723 175.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -137.42 102.82 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.32 -86.19 1.2 Allowed Glycine 0 N--CA 1.488 2.138 0 O-C-N 121.915 -0.49 . . . . 0.0 113.383 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.83 174.14 42.13 Favored Glycine 0 N--CA 1.482 1.766 0 CA-C-O 122.317 0.954 . . . . 0.0 114.693 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -93.44 111.85 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 172.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.712 177.338 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.73 131.16 34.38 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -92.71 114.56 27.15 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 121.428 0.632 . . . . 0.0 109.76 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -91.16 119.83 31.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.691 -0.631 . . . . 0.0 110.049 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -90.13 117.27 28.77 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 121.943 -0.473 . . . . 0.0 109.952 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -88.37 125.38 34.67 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.019 0.528 . . . . 0.0 110.41 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.38 136.74 35.73 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 122.121 0.962 . . . . 0.0 113.054 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -74.52 -32.95 62.65 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.24 86.42 0.08 OUTLIER Glycine 0 N--CA 1.481 1.673 0 CA-C-N 118.755 0.707 . . . . 0.0 111.491 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -126.19 105.7 9.02 Favored 'General case' 0 CA--C 1.561 1.378 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -134.65 92.0 2.85 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 m -140.92 102.85 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -87.03 -57.34 3.0 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -90.97 125.2 35.71 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.889 0.768 . . . . 0.0 110.845 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -90.4 115.62 27.71 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -89.97 69.43 7.42 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-O 122.291 1.044 . . . . 0.0 111.004 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -179.25 145.07 0.24 Allowed 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 126.551 1.94 . . . . 0.0 107.027 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.263 10.8 p -70.9 91.83 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.68 -1.262 . . . . 0.0 111.676 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -81.23 123.86 28.82 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.406 0.683 . . . . 0.0 110.446 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.4 117.19 29.74 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.52 68.5 6.75 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 122.446 1.117 . . . . 0.0 113.438 174.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -156.3 146.68 21.55 Favored 'General case' 0 CA--C 1.565 1.536 0 C-N-CA 125.061 1.344 . . . . 0.0 109.02 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -74.07 86.91 1.86 Allowed 'General case' 0 CA--C 1.573 1.829 0 CA-C-O 122.578 1.18 . . . . 0.0 111.411 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 p -98.64 99.37 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.83 80.1 0.08 OUTLIER Glycine 0 N--CA 1.485 1.905 0 O-C-N 121.745 -0.597 . . . . 0.0 112.483 -173.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -121.47 169.21 10.86 Favored 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 123.779 0.831 . . . . 0.0 111.065 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.26 89.36 0.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.65 -1.281 . . . . 0.0 111.439 174.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -113.46 -61.64 1.71 Allowed 'General case' 0 CA--C 1.567 1.631 0 C-N-CA 124.162 0.985 . . . . 0.0 110.745 -169.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.78 88.86 1.5 Allowed Glycine 0 N--CA 1.489 2.171 0 CA-C-N 119.329 0.968 . . . . 0.0 113.994 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.99 124.92 34.21 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 121.387 0.613 . . . . 0.0 112.413 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.8 mt -133.36 100.01 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 tp -81.23 139.21 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.229 -0.919 . . . . 0.0 111.679 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.47 -80.71 1.23 Allowed Glycine 0 N--CA 1.489 2.181 0 O-C-N 121.864 -0.522 . . . . 0.0 114.277 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.81 119.28 31.47 Favored 'General case' 0 CA--C 1.564 1.489 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.25 112.92 25.03 Favored 'General case' 0 CA--C 1.563 1.456 0 O-C-N 121.825 -0.547 . . . . 0.0 109.597 177.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -102.28 104.23 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.0 -88.04 0.07 OUTLIER Glycine 0 N--CA 1.483 1.818 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.54 85.29 0.07 OUTLIER Glycine 0 N--CA 1.483 1.831 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 m -141.49 108.63 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.47 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 CA--C 1.568 1.668 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.82 129.61 34.79 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 119.744 1.156 . . . . 0.0 113.136 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.77 108.71 6.32 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -143.68 121.31 11.82 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -173.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -133.21 130.68 39.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.763 -0.585 . . . . 0.0 110.664 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -133.47 124.68 27.46 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.16 125.83 35.22 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.515 0.674 . . . . 0.0 110.751 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -85.76 132.68 34.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.0 112.363 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.91 -91.69 1.72 Allowed Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.558 -0.714 . . . . 0.0 113.516 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -89.62 112.57 23.84 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 122.792 0.437 . . . . 0.0 111.356 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.7 84.16 2.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.202 1.001 . . . . 0.0 109.851 176.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -146.57 115.24 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -82.73 -60.29 2.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.266 -0.896 . . . . 0.0 113.11 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -85.39 121.64 28.4 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 119.255 0.934 . . . . 0.0 111.864 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.11 90.74 7.48 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.498 -0.752 . . . . 0.0 109.548 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -97.96 71.82 2.19 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.201 1.001 . . . . 0.0 109.676 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tt -162.72 127.39 3.13 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.9 m -66.34 105.11 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.039 -1.038 . . . . 0.0 112.113 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -73.73 135.18 43.6 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 121.499 -0.751 . . . . 0.0 111.958 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -88.8 116.91 27.42 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.195 0.522 . . . . 0.0 109.978 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.45 157.25 37.21 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.28 12.4 pt-20 -75.88 63.22 1.67 Allowed 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -160.9 98.19 1.19 Allowed 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 104.451 -2.425 . . . . 0.0 104.451 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.22 103.6 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -151.09 84.1 0.16 Allowed Glycine 0 N--CA 1.484 1.849 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.3 p -89.78 141.09 28.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.038 0.535 . . . . 0.0 112.079 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -77.16 88.72 3.63 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.65 0.738 . . . . 0.0 110.736 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -103.93 142.4 34.48 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.953 0.901 . . . . 0.0 111.918 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.38 -85.44 0.05 OUTLIER Glycine 0 N--CA 1.486 1.984 0 O-C-N 121.985 -0.447 . . . . 0.0 112.043 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.37 131.32 34.42 Favored 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.1 tt -131.27 118.76 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -83.07 124.66 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.251 -0.906 . . . . 0.0 110.637 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.25 78.42 1.87 Allowed Glycine 0 N--CA 1.488 2.11 0 O-C-N 121.287 -0.883 . . . . 0.0 114.131 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 tp -92.51 112.42 24.37 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.9 mmt -87.78 120.36 29.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.724 -0.61 . . . . 0.0 110.159 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.7 t -104.47 103.04 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.17 -89.31 0.07 OUTLIER Glycine 0 N--CA 1.484 1.868 0 O-C-N 121.933 -0.479 . . . . 0.0 112.157 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.25 85.71 1.55 Allowed Glycine 0 N--CA 1.487 2.084 0 CA-C-N 117.1 0.45 . . . . 0.0 113.971 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.88 91.29 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 121.435 0.636 . . . . 0.0 109.528 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.265 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' 23Y . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_